(1r,2s)-2-Amino-n-(cyanomethyl)cyclohexanecarboxamide

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Basic information

Standard SMILES: N#CCNC(=O)[C@@H]1CCCC[C@@H]1N
InChIKey: QPRIYTXODSNORM-SFYZADRCSA-N
Molecular formula: C9H15N3O
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.12151211

Names & identifiers

Preferred name: (1r,2s)-2-Amino-n-(cyanomethyl)cyclohexanecarboxamide
IUPAC: cis-(1R,2S)-2-amino-N-(cyanomethyl)cyclohexane-1-carboxamide

Names & synonyms

SCHEMBL5262811QPRIYTXODSNORM-SFYZADRCSA-N(1r,2s)-2-amino-n-(cyanomethyl)cyclohexanecarboxamide(1R,2S)-2-Amino-cyclohexanecarboxylic acid cyanomethyl-amide

Database identifiers

PubChem CID: 60098554

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 230

Related reactions

2 records

New reaction record

HRID 1593984As reactantuspto-grants-2007_11

HRID 1593987As productuspto-grants-2007_11

Compound notes

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