2-amino-N,N-dimethylbutanamide

• ChemBase ID: 60256
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N(C)C)C(N)CC
• Canonical SMILES: CCC(C(=O)N(C)C)N
• InChI: InChI=1S/C6H14N2O/c1-4-5(7)6(9)8(2)3/h5H,4,7H2,1-3H3
• InChIKey: WRVUTVMOKGGDME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylbutanamide
• IUPAC Traditional name: 2-amino-N,N-dimethylbutanamide
• Synonyms: 2-Amino-N,N-dimethylbutanamide

Database IDs

• MDL Number: MFCD12104657
• PubChem SID: 162025997
• PubChem CID: 43649466

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.100179
• LogD (pH = 7.4): -1.4907128
• Log P: -0.4157794
• Molar Refractivity: 36.6369 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false