2-amino-N,4-dimethylpentanamide hydrochloride

• ChemBase ID: 257218
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(C(CC(C)C)N)NC.Cl
• Canonical SMILES: CNC(=O)C(CC(C)C)N.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-5(2)4-6(8)7(10)9-3;/h5-6H,4,8H2,1-3H3,(H,9,10);1H
• InChIKey: RRZJUBLBYSGTOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11099626
• PubChem SID: 164313128
• PubChem CID: 22906745

CALCULATED PROPERTIES

• Acid pKa: 16.288502
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5873861
• LogD (pH = 7.4): -0.97481704
• Log P: 0.09213229
• Molar Refractivity: 40.8898 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.161

Product Information

• Purity: 95%