2-Chlorocyclohexan-1-amine

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Basic information

Standard SMILES: NC1CCCCC1Cl
InChIKey: RTZWBJIYBWNJMR-UHFFFAOYSA-N
Molecular formula: C6H12ClN
Average molar mass: 133.62 g/mol
Monoisotopic mass: 133.0658271

Names & identifiers

Preferred name: 2-Chlorocyclohexan-1-amine
IUPAC: 2-chlorocyclohexan-1-amine

Names & synonyms

2-chlorocyclohexan-1-amine55005-83-92-chloro-cyclohexylamineSCHEMBL449627SCHEMBL1767079SCHEMBL27794387cyclohexane, 1-amino-2-chloro-RTZWBJIYBWNJMR-UHFFFAOYSA-NAKOS006338831EN300-147718

Database identifiers

PubChem CID: 418800

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Related reactions

2 records

New reaction record

HRID 1128107As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1580322As reactantuspto-grants-1976_01

Compound notes

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