Chemical : 6-[(E)-(2,2-Dimethylpropylidene)amino]hexan-1-amine
Casrn : 1000-78-8 |
MolName : 6-[(E)-(2,2-Dimethylpropylidene)amino]hexan-1-amine |
MolecularFormula : C11H24N2 |
Smiles : CC(C)(C)/C=N/CCCCCCN |
InChI : InChI=1S/C11H24N2/c1-11(2,3)10-13-9-7-5-4-6-8-12/h10H,4-9,12H2,1-3H3/b13-10+ |
InChIK : JWCJQYFAOGUPJT-JLHYYAGUSA-N |
CanonicalSyTyLFy : f9258a03837679a0 |
TotalMolweight : 184.326 |
Molweight : 184.326 |
MonoisotopicMass : 184.193948 |
CLogP : 2.1025 |
CLogS : -2.304 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 176.53 |
Relative PSA : 0.1517 |
PolarSurfaceArea : 38.38 |
Druglikeness : -10.254 |
Mutagenic : high |
Tumorigenic : low |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.84615 |
Molecula Flexibility : 0.62367 |
Molecular Complexity : 0.32432 |
Fragments : 1 |
Non HAtoms : 13 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 7 |
Sp3Atoms : 11 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 2 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 |
100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 |
1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 |
10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 |
100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 |
100001-06-7 | none | none | none | I.C20H28NO | 298.448 | -2.3411 |
100007-62-3 | none | none | high | C8H13NO | 139.197 | -8.1398 |
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
1000284-35-4 | none | none | high | C16H24O4 | 280.363 | -11.936 |
100005-68-3 | none | none | none | C13H12O4 | 232.234 | -4.9451 |
100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 |
100-68-5 | none | none | none | C7H8S | 124.207 | -1.735 |
100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
100031-88-7 | none | none | high | C10H30O3Si4 | 310.689 | -53.619 |
1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
10003-94-8 | none | none | none | C9H16N2O18P4 | 564.118 | -31.509 |
1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 |
10001-43-1 | none | none | none | C15H18N6O2 | 314.348 | 4.1828 |
1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 |
10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 |
100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 |
10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
100-48-1 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 |
100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 |
1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 |
100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 |
100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
100004-95-3 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
1000018-22-3 | none | none | none | C16H22N3O4Br | 400.272 | -33.051 |
100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
1000018-52-9 | none | none | none | C11H12N2O2S2 | 268.36 | 1.3179 |
100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |