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1000 78 8 | Cheminformatics

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
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000018-39-2highhighlowC13H20N2O2S268.381.9315
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100007-62-3nonenonehighC8H13NO139.197-8.1398
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000284-35-4nonenonehighC16H24O4280.363-11.936
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
10001-13-5nonenonehighC12H22N2O210.323.9217
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-68-5nonenonenoneC7H8S124.207-1.735
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-52-7highhighhighC7H6O106.124-4.225
100011-00-5nonenonenoneC15H24O2236.354-18.044
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-53-8nonehighhighC7H8S124.207-6.3177
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000284-53-6nonenonehighC18H36O2284.482-15.583
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100020-83-5nonenonelowC7H11O3B153.972-20.814
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
1000000-13-4highhighhighC21H28O12472.441-0.17986
100-63-0highhighnoneC6H8N2108.144-4.3224
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-96-9highnonenoneC7H10N2O138.169-1.7412
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-91-4nonenonehighC17H25NO3291.393.3475
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-10-7nonehighhighC9H11NO149.192-1.8715
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-30-2nonenonehighC9H16O140.225-7.4662
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-45-8nonenonehighC7H9N107.155-10.018
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-54-9nonenonenoneC6H4N2104.112-6.0498
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-09-4nonenonenoneC8H8O3152.149-1.597