(1Z)-N'-Cyclohexyl-2,2-dimethylpropanimidamide

CAS Number: 1202-53-5
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CC(C)(C)/C(/N)=N/C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H22N2
Molecular Weight
182.31
Drug-likeness
-15.828
CAS
1202-53-5
InChI key
BJNSPEHPFGSWRI-UHFFFAOYSA-N
SMILES
CC(C)(C)/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 1202-53-5
Molecule Name (1Z)-N'-Cyclohexyl-2,2-dimethylpropanimidamide
Molecular Formula C11H22N2
SMILES CC(C)(C)/C(/N)=N/C1CCCCC1
InChI InChI=1S/C11H22N2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,12,13)
InChI Key BJNSPEHPFGSWRI-UHFFFAOYSA-N
CanonicalSyTyLFy 10d3d04009e70529
TotalMolweight 182.31
Molecular Weight 182.31
MonoisotopicMass 182.178298
CLogP 2.2237
CLogS -2.772
H Acceptors 2
H Donors 1
TotalSurfaceArea 159.98
Relative PSA 0.1674
PolarSurfaceArea 38.38
Drug-likeness -15.828
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.61538
Molecula Flexibility 0.37108
Molecular Complexity 0.49929
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 4
BasicNitrogens 1

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