2-(methylamino)-N-(propan-2-yl)acetamide

• ChemBase ID: 35431
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NC(C)C)CNC
• Canonical SMILES: CNCC(=O)NC(C)C
• InChI: InChI=1S/C6H14N2O/c1-5(2)8-6(9)4-7-3/h5,7H,4H2,1-3H3,(H,8,9)
• InChIKey: QYNMIIFWHFZEOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-(methylamino)acetamide
• Synonyms: N-Isopropyl-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD06655723
• PubChem SID: 160998738
• PubChem CID: 4962296

CALCULATED PROPERTIES

• Acid pKa: 16.077948
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4957666
• LogD (pH = 7.4): -1.9391077
• Log P: -0.5247787
• Molar Refractivity: 36.6643 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): -0.426

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%