2-amino-N-cyclohexyl-N,4-dimethylpentanamide hydrochloride

• ChemBase ID: 243630
• Molecular Formular: C13H27ClN2O
• Molecular Mass: 262.81928
• Monoisotopic Mass: 262.18119117
• SMILES: C(=O)(N(C1CCCCC1)C)C(CC(C)C)N.Cl
• Canonical SMILES: NC(C(=O)N(C1CCCCC1)C)CC(C)C.Cl
• InChI: InChI=1S/C13H26N2O.ClH/c1-10(2)9-12(14)13(16)15(3)11-7-5-4-6-8-11;/h10-12H,4-9,14H2,1-3H3;1H
• InChIKey: MIYPJBKEQOADFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N,4-dimethylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N,4-dimethylpentanamide hydrochloride
• Synonyms: 2-amino-N-cyclohexyl-N,4-dimethylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578718
• PubChem SID: 164299540
• PubChem CID: 71757300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.560246
• LogD (pH = 7.4): 1.0549225
• Log P: 2.115079
• Molar Refractivity: 66.8007 cm^3
• Polarizability: 26.681845 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.622

Product Information

• Purity: 95%