2-amino-2-ethyl-3-methylbutanamide

• ChemBase ID: 249236
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(C(=O)N)(N)(C(C)C)CC
• Canonical SMILES: CCC(C(=O)N)(C(C)C)N
• InChI: InChI=1S/C7H16N2O/c1-4-7(9,5(2)3)6(8)10/h5H,4,9H2,1-3H3,(H2,8,10)
• InChIKey: VQRGIKOEKZMKNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-ethyl-3-methylbutanamide
• IUPAC Traditional name: 2-amino-2-ethyl-3-methylbutanamide
• Synonyms: 2-amino-2-ethyl-3-methylbutanamide

Database IDs

• MDL Number: MFCD12817049
• PubChem SID: 164305146
• PubChem CID: 61005594

CALCULATED PROPERTIES

• Acid pKa: 16.67382
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4034417
• LogD (pH = 7.4): -0.99143136
• Log P: 0.45712957
• Molar Refractivity: 40.5524 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.204

Product Information

• Purity: 95%