2-amino-N-methylpentanamide

• ChemBase ID: 60255
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NC)C(N)CCC
• Canonical SMILES: CCCC(C(=O)NC)N
• InChI: InChI=1S/C6H14N2O/c1-3-4-5(7)6(9)8-2/h5H,3-4,7H2,1-2H3,(H,8,9)
• InChIKey: NCPLOFZQPMSMOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylpentanamide
• IUPAC Traditional name: 2-amino-N-methylpentanamide
• Synonyms: N~1~-methylnorvalinamide

Database IDs

• CAS Number: 879553-73-8
• MDL Number: MFCD12105133
• PubChem SID: 162025996
• PubChem CID: 43649991

CALCULATED PROPERTIES

• Acid pKa: 16.245855
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8787584
• LogD (pH = 7.4): -1.2689525
• Log P: -0.1948868
• Molar Refractivity: 36.3412 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false