(1Z)-N-Cyclohexyl-3,5,5-trimethylcyclohex-2-en-1-imine

CAS Number: 68928-20-1
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CC(C)(CC(C)=C1)C/C1=N/C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C15H25N
Molecular Weight
219.371
Drug-likeness
-7.8633
CAS
68928-20-1
InChI key
SICIPZXGHUVDIJ-JQIJEIRASA-N
SMILES
CC(C)(CC(C)=C1)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 68928-20-1
Molecule Name (1Z)-N-Cyclohexyl-3,5,5-trimethylcyclohex-2-en-1-imine
Molecular Formula C15H25N
SMILES CC(C)(CC(C)=C1)C/C1=N/C1CCCCC1
InChI InChI=1S/C15H25N/c1-12-9-14(11-15(2,3)10-12)16-13-7-5-4-6-8-13/h9,13H,4-8,10-11H2,1-3H3/b16-14+
InChI Key SICIPZXGHUVDIJ-JQIJEIRASA-N
CanonicalSyTyLFy df7b783ff824a51d
TotalMolweight 219.371
Molecular Weight 219.371
MonoisotopicMass 219.198699
CLogP 3.7913
CLogS -3.665
H Acceptors 1
TotalSurfaceArea 190.19
Relative PSA 0.060518
PolarSurfaceArea 12.36
Drug-likeness -7.8633
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5625
Molecula Flexibility 0.20451
Molecular Complexity 0.62421
Fragments 1
Non HAtoms 16
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Sp3Atoms 12
Symmetricatoms 3
BasicNitrogens 1

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