(2E)-N-Cyclohexyl-6,10-dimethylundeca-5,9-dien-2-imine

CAS Number: 65648-28-4
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CC(C)=CCCC(C)=CCC/C(/C)=N/C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C19H33N
Molecular Weight
275.478
Drug-likeness
-7.3505
CAS
65648-28-4
InChI key
WVIGIFCRRMAAAE-PWLFVCAOSA-N
SMILES
CC(C)=CCCC(C)=CCC/C(/C)=N/C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65648-28-4
Molecule Name (2E)-N-Cyclohexyl-6,10-dimethylundeca-5,9-dien-2-imine
Molecular Formula C19H33N
SMILES CC(C)=CCCC(C)=CCC/C(/C)=N/C1CCCCC1
InChI InChI=1S/C19H33N/c1-16(2)10-8-11-17(3)12-9-13-18(4)20-19-14-6-5-7-15-19/h10,12,19H,5-9,11,13-15H2,1-4H3/b17-12?,20-18+
InChI Key WVIGIFCRRMAAAE-PWLFVCAOSA-N
CanonicalSyTyLFy 3973140f23c69076
TotalMolweight 275.478
Molecular Weight 275.478
MonoisotopicMass 275.261299
CLogP 6.4043
CLogS -4.488
H Acceptors 1
TotalSurfaceArea 257.77
Relative PSA 0.044652
PolarSurfaceArea 12.36
Drug-likeness -7.3505
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.58717
Molecular Complexity 0.51966
Fragments 1
Non HAtoms 20
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 7
Rings Closures 1
Small Rings 1
Sp3Atoms 14
Symmetricatoms 3
BasicNitrogens 1

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