2-amino-N,N,3-trimethylbutanamide

• ChemBase ID: 257532
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(C(N)C(C)C)N(C)C
• Canonical SMILES: CC(C(C(=O)N(C)C)N)C
• InChI: InChI=1S/C7H16N2O/c1-5(2)6(8)7(10)9(3)4/h5-6H,8H2,1-4H3
• InChIKey: OKEFIWWKXMYCQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N,3-trimethylbutanamide
• IUPAC Traditional name: 2-amino-N,N,3-trimethylbutanamide
• Synonyms: 2-amino-N,N,3-trimethylbutanamide; N~1~,N~1~-dimethylvalinamide

Database IDs

• CAS Number: 230643-41-1
• MDL Number: MFCD09933384
• PubChem SID: 164313442
• PubChem CID: 19027560

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.770459
• LogD (pH = 7.4): -1.186073
• Log P: -0.050806575
• Molar Refractivity: 41.1085 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.062

Product Information

• Purity: 95%