(1E)-N'-Cyclohexylbut-3-enimidamide

CAS Number: 62490-37-3
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C=CC/C(/N)=N\C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H18N2
Molecular Weight
166.267
Drug-likeness
-9.2793
CAS
62490-37-3
InChI key
LYALBOYMPPJQSH-UHFFFAOYSA-N
SMILES
C=CC/C(/N)=N\C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62490-37-3
Molecule Name (1E)-N'-Cyclohexylbut-3-enimidamide
Molecular Formula C10H18N2
SMILES C=CC/C(/N)=N\C1CCCCC1
InChI InChI=1S/C10H18N2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H2,11,12)
InChI Key LYALBOYMPPJQSH-UHFFFAOYSA-N
CanonicalSyTyLFy a86b829a82c9abd5
TotalMolweight 166.267
Molecular Weight 166.267
MonoisotopicMass 166.146998
CLogP 1.7085
CLogS -2.644
H Acceptors 2
H Donors 1
TotalSurfaceArea 151.09
Relative PSA 0.17725
PolarSurfaceArea 38.38
Drug-likeness -9.2793
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.37787
Molecular Complexity 0.48173
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2
BasicNitrogens 1

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