(1E)-N-Cyclohexyl-4,4-dimethylcyclohex-2-en-1-imine

CAS Number: 59083-07-7
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CC(C)(CC1)C=C/C1=N/C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C14H23N
Molecular Weight
205.344
Drug-likeness
-7.129
CAS
59083-07-7
InChI key
GOGKKYDRPRTRBB-SQFISAMPSA-N
SMILES
CC(C)(CC1)C=C/C1=N/C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 59083-07-7
Molecule Name (1E)-N-Cyclohexyl-4,4-dimethylcyclohex-2-en-1-imine
Molecular Formula C14H23N
SMILES CC(C)(CC1)C=C/C1=N/C1CCCCC1
InChI InChI=1S/C14H23N/c1-14(2)10-8-13(9-11-14)15-12-6-4-3-5-7-12/h8,10,12H,3-7,9,11H2,1-2H3/b15-13-
InChI Key GOGKKYDRPRTRBB-SQFISAMPSA-N
CanonicalSyTyLFy 9e91fcf2f777126c
TotalMolweight 205.344
Molecular Weight 205.344
MonoisotopicMass 205.183049
CLogP 3.3511
CLogS -3.541
H Acceptors 1
TotalSurfaceArea 179.72
Relative PSA 0.064044
PolarSurfaceArea 12.36
Drug-likeness -7.129
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.23074
Molecular Complexity 0.56718
Fragments 1
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Sp3Atoms 11
Symmetricatoms 3
BasicNitrogens 1

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