3-amino-N,2,2-trimethylpropanamide

• ChemBase ID: 241469
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(C(=O)NC)(CN)(C)C
• Canonical SMILES: NCC(C(=O)NC)(C)C
• InChI: InChI=1S/C6H14N2O/c1-6(2,4-7)5(9)8-3/h4,7H2,1-3H3,(H,8,9)
• InChIKey: XMOGWWOHQKRHFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,2,2-trimethylpropanamide
• IUPAC Traditional name: 3-amino-N,2,2-trimethylpropanamide
• Synonyms: 3-amino-N,2,2-trimethylpropanamide

Database IDs

• MDL Number: MFCD16117905
• PubChem SID: 164297379
• PubChem CID: 22364427

CALCULATED PROPERTIES

• Acid pKa: 16.426867
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3395195
• LogD (pH = 7.4): -2.1577287
• Log P: -0.39472878
• Molar Refractivity: 36.4972 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.623

Product Information

• Purity: 95%