N-cyclohexyl-N-ethylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 48922
• Molecular Formular: C13H25ClN2O
• Molecular Mass: 260.8034
• Monoisotopic Mass: 260.16554111
• SMILES: C(=O)(N(C1CCCCC1)CC)C1NCCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCCN1)C1CCCCC1.Cl
• InChI: InChI=1S/C13H24N2O.ClH/c1-2-15(11-7-4-3-5-8-11)13(16)12-9-6-10-14-12;/h11-12,14H,2-10H2,1H3;1H
• InChIKey: OGMGPIXGRKGZRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-ethylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclohexyl-N-ethylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N-Cyclohexyl-N-ethyl-2-pyrrolidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562168
• PubChem SID: 162053685
• PubChem CID: 56831898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5075918
• LogD (pH = 7.4): -0.6585689
• Log P: 1.6993465
• Molar Refractivity: 65.4427 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false