2-amino-N-(2-methylcyclohexyl)pentanamide hydrochloride

• ChemBase ID: 243084
• Molecular Formular: C12H25ClN2O
• Molecular Mass: 248.7927
• Monoisotopic Mass: 248.16554111
• SMILES: C(=O)(NC1C(C)CCCC1)C(N)CCC.Cl
• Canonical SMILES: CCCC(C(=O)NC1CCCCC1C)N.Cl
• InChI: InChI=1S/C12H24N2O.ClH/c1-3-6-10(13)12(15)14-11-8-5-4-7-9(11)2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
• InChIKey: CLJDTPBNXXIYGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methylcyclohexyl)pentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-methylcyclohexyl)pentanamide hydrochloride
• Synonyms: 2-amino-N-(2-methylcyclohexyl)pentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578583
• PubChem SID: 164298994
• PubChem CID: 71757156

CALCULATED PROPERTIES

• Acid pKa: 15.998427
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7141583
• LogD (pH = 7.4): 0.8958765
• Log P: 1.9693565
• Molar Refractivity: 61.827 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.312

Product Information

• Purity: 95%