2-[(2-methylpropyl)amino]acetamide

• ChemBase ID: 264007
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N)CNCC(C)C
• Canonical SMILES: CC(CNCC(=O)N)C
• InChI: InChI=1S/C6H14N2O/c1-5(2)3-8-4-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
• InChIKey: QJRIYJBZWXFFSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylpropyl)amino]acetamide
• IUPAC Traditional name: 2-[(2-methylpropyl)amino]acetamide
• Synonyms: 2-[(2-methylpropyl)amino]acetamide

Database IDs

• MDL Number: MFCD09048136
• PubChem SID: 164319917
• PubChem CID: 11499221

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -3.3821435
• LogD (pH = 7.4): -2.0413184
• Log P: -0.2775346
• Molar Refractivity: 36.3444 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 16.745466
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.073

Product Information

• Purity: 95%