(1E)-N-Cyclohexyloctan-1-imine

CAS Number: 57261-92-4
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CCCCCCC/C=N/C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C14H27N
Molecular Weight
209.375
Drug-likeness
-18.841
CAS
57261-92-4
InChI key
GFNGLUCUQSFSBW-FYWRMAATSA-N
SMILES
CCCCCCC/C=N/C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 57261-92-4
Molecule Name (1E)-N-Cyclohexyloctan-1-imine
Molecular Formula C14H27N
SMILES CCCCCCC/C=N/C1CCCCC1
InChI InChI=1S/C14H27N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h13-14H,2-12H2,1H3/b15-13+
InChI Key GFNGLUCUQSFSBW-FYWRMAATSA-N
CanonicalSyTyLFy 829688403942075a
TotalMolweight 209.375
Molecular Weight 209.375
MonoisotopicMass 209.214349
CLogP 4.2467
CLogS -3.942
H Acceptors 1
TotalSurfaceArea 200.88
Relative PSA 0.057298
PolarSurfaceArea 12.36
Drug-likeness -18.841
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions imine/hydrazone of aldehyde
Shape Index 0.86667
Molecula Flexibility 0.46946
Molecular Complexity 0.38686
Fragments 1
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 7
Rings Closures 1
Small Rings 1
Sp3Atoms 13
Symmetricatoms 2
BasicNitrogens 1

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