(1E)-N-Pentylpentan-1-imine

CAS Number: 65870-64-6
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CCCCC/N=C/CCCC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H21N
Molecular Weight
155.284
Drug-likeness
-4.4186
CAS
65870-64-6
InChI key
QVCUVCYAEQJYPA-PKNBQFBNSA-N
SMILES
CCCCC/N=C/CCCC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65870-64-6
Molecule Name (1E)-N-Pentylpentan-1-imine
Molecular Formula C10H21N
SMILES CCCCC/N=C/CCCC
InChI InChI=1S/C10H21N/c1-3-5-7-9-11-10-8-6-4-2/h9H,3-8,10H2,1-2H3/b11-9+
InChI Key QVCUVCYAEQJYPA-PKNBQFBNSA-N
CanonicalSyTyLFy 670a7feb4ad5bdc9
TotalMolweight 155.284
Molecular Weight 155.284
MonoisotopicMass 155.167399
CLogP 3.0973
CLogS -2.668
H Acceptors 1
TotalSurfaceArea 159.1
Relative PSA 0.072344
PolarSurfaceArea 12.36
Drug-likeness -4.4186
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions imine/hydrazone of aldehyde
Shape Index 1
Molecula Flexibility 0.62708
Molecular Complexity 0.35835
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 7
Sp3Atoms 9
BasicNitrogens 1

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