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Cyclohexanamine

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CAS Number
108-91-8

Chemical Information

Cyclohexylamine

Cyclohexylamine is a primary aliphatic amine consisting of cyclohexane carrying an amino substituent. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate base of a cyclohexylammonium.

CAS Number108-91-8
PubChem CID7965
IUPAC Namecyclohexanamine
Molecular FormulaC6H13N
Molecular Weight99.17
XLogP1.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity46
SMILES
C1CCC(CC1)N
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexylamine
CAS: 108-91-8
CID: 7965
Formula: C6H13N
MW: 99.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight99.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass99.104799419
Monoisotopic Mass99.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2740432- (trifluoromethyl) cyclohexanamine
BUP22204Phosphoramide mustard cyclohexanamine
ZDA17540N- (Cyclopropylmethyl) cyclohexanamine
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sc-2769174- (trifluoromethyl) cyclohexanamine

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