2-amino-2,4-dimethylpentanamide

• ChemBase ID: 273556
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(C(=O)N)(CC(C)C)(N)C
• Canonical SMILES: CC(CC(C(=O)N)(N)C)C
• InChI: InChI=1S/C7H16N2O/c1-5(2)4-7(3,9)6(8)10/h5H,4,9H2,1-3H3,(H2,8,10)
• InChIKey: FTJJDCJLMLWWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151846
• PubChem SID: 164329466
• PubChem CID: 14037823

CALCULATED PROPERTIES

• Acid pKa: 16.682312
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.504097
• LogD (pH = 7.4): -1.0062747
• Log P: 0.30122212
• Molar Refractivity: 40.7064 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 0.204

Product Information

• Purity: 95%