N-cyclohexyl-N-methylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 48919
• Molecular Formular: C12H23ClN2O
• Molecular Mass: 246.77682
• Monoisotopic Mass: 246.14989105
• SMILES: C(=O)(N(C1CCCCC1)C)C1NCCC1.Cl
• Canonical SMILES: O=C(N(C1CCCCC1)C)C1CCCN1.Cl
• InChI: InChI=1S/C12H22N2O.ClH/c1-14(10-6-3-2-4-7-10)12(15)11-8-5-9-13-11;/h10-11,13H,2-9H2,1H3;1H
• InChIKey: NLDISGWVPLOHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclohexyl-N-methylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N-Cyclohexyl-N-methyl-2-pyrrolidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562165
• PubChem SID: 162053682
• PubChem CID: 56831895

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8644334
• LogD (pH = 7.4): -1.0157522
• Log P: 1.3425386
• Molar Refractivity: 60.6941 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false