(2E)-N-(2-Methylpropyl)hexan-2-imine

CAS Number: 137626-20-1
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CCCC/C(/C)=N/CC(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H21N
Molecular Weight
155.284
Drug-likeness
-6.6202
CAS
137626-20-1
InChI key
YAYLFAPRRXPJSQ-ZHACJKMWSA-N
SMILES
CCCC/C(/C)=N/CC(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 137626-20-1
Molecule Name (2E)-N-(2-Methylpropyl)hexan-2-imine
Molecular Formula C10H21N
SMILES CCCC/C(/C)=N/CC(C)C
InChI InChI=1S/C10H21N/c1-5-6-7-10(4)11-8-9(2)3/h9H,5-8H2,1-4H3/b11-10+
InChI Key YAYLFAPRRXPJSQ-ZHACJKMWSA-N
CanonicalSyTyLFy 73e81bec643f72e3
TotalMolweight 155.284
Molecular Weight 155.284
MonoisotopicMass 155.167399
CLogP 2.9472
CLogS -2.502
H Acceptors 1
TotalSurfaceArea 153.05
Relative PSA 0.075204
PolarSurfaceArea 12.36
Drug-likeness -6.6202
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.61923
Molecular Complexity 0.46052
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 5
Sp3Atoms 9
Symmetricatoms 1
BasicNitrogens 1

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