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 |
---|---|---|---|---|---|---|
1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
017257-81-7 | none | none | none | C6H10O2 | 114.143 | 0.9106 |
100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 |
1000018-22-3 | none | none | none | C16H22N3O4Br | 400.272 | -33.051 |
100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
1000339-54-7 | none | none | none | C9H7O2F3 | 204.147 | -11.176 |
100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 |
100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 |
100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 |
100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
1000-67-5 | none | none | high | C4H9O4S.Na | 153.177 | -10.412 |
10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 |
1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 |
1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 |
100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
1000018-50-7 | none | none | none | C13H16N2O4 | 264.28 | -7.3568 |
10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 |
1000-68-6 | none | none | none | C3H9NO3S2 | 171.24 | -3.0843 |
100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 |
100021-81-6 | none | none | none | H3O4P.C20H42N2O | 326.566 | -22.282 |
10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 |
100009-23-2 | none | none | high | C17H22 | 226.362 | -9.7346 |
100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
1000269-51-1 | none | none | none | C13H12NO4B | 257.052 | -12.285 |
100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 |
1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 |
100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
100004-94-2 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
1000304-40-4 | none | none | none | C11H17NO | 179.262 | 2.2651 |
100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 |
1000-56-2 | none | none | none | C3H7O4S.Na | 139.151 | -6.9141 |
100007-62-3 | none | none | high | C8H13NO | 139.197 | -8.1398 |
1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
100004-78-2 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |