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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
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-52-7highhighhighC7H6O106.124-4.225
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-45-8nonenonehighC7H9N107.155-10.018
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-86-7nonenonenoneC10H14O150.22-2.4187
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100-81-2nonenonenoneC8H11N121.182-2.1005
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100-54-9nonenonenoneC6H4N2104.112-6.0498
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
10001-13-5nonenonehighC12H22N2O210.323.9217
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-40-3nonenonehighC8H12108.183-9.1684
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000-41-5nonenonelowC10H18O154.252-9.05
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100009-23-2nonenonehighC17H22226.362-9.7346
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-09-4nonenonenoneC8H8O3152.149-1.597
100033-28-1lownonehighC6H9N7179.186-2.3035
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-63-0highhighnoneC6H8N2108.144-4.3224
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000304-40-4nonenonenoneC11H17NO179.2622.2651
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100004-78-2nonenonenoneC16H11NO2249.268-1.5746