(1-AMINOMETHYL-4-METHYL-CYCLOHEXYL)-DIMETHYL-AMINE

CAS Number: 919013-75-5
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CC(CC1)CCC1(CN)N(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H22N2
Molecular Weight
170.299
Drug-likeness
1.0629
CAS
919013-75-5
InChI key
BJLJEBKJWXMKNP-UHFFFAOYSA-N
SMILES
CC(CC1)CCC1(CN)N(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 919013-75-5
Molecule Name (1-AMINOMETHYL-4-METHYL-CYCLOHEXYL)-DIMETHYL-AMINE
Molecular Formula C10H22N2
SMILES CC(CC1)CCC1(CN)N(C)C
InChI InChI=1S/C10H22N2/c1-9-4-6-10(8-11,7-5-9)12(2)3/h9H,4-8,11H2,1-3H3
InChI Key BJLJEBKJWXMKNP-UHFFFAOYSA-N
CanonicalSyTyLFy 47593238752fc3c3
TotalMolweight 170.299
Molecular Weight 170.299
MonoisotopicMass 170.178298
CLogP 0.6629
CLogS -1.219
H Acceptors 2
H Donors 1
TotalSurfaceArea 147.31
Relative PSA 0.12776
PolarSurfaceArea 29.26
Drug-likeness 1.0629
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.55008
Molecular Complexity 0.57762
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 12
Symmetricatoms 3
Amines 2
AlkylAmines 2
BasicNitrogens 2

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