2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide

• ChemBase ID: 241384
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: C(=O)(NCC(C)(C)C)C(N)(C)C
• Canonical SMILES: O=C(C(N)(C)C)NCC(C)(C)C
• InChI: InChI=1S/C9H20N2O/c1-8(2,3)6-11-7(12)9(4,5)10/h6,10H2,1-5H3,(H,11,12)
• InChIKey: LZPWOPQOMACGIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide
• IUPAC Traditional name: 2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide
• Synonyms: 2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide

Database IDs

• MDL Number: MFCD14609092
• PubChem SID: 164297294
• PubChem CID: 61265060

CALCULATED PROPERTIES

• Acid pKa: 16.16205
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.890601
• LogD (pH = 7.4): -0.36667132
• Log P: 0.89309204
• Molar Refractivity: 50.0718 cm^3
• Polarizability: 20.040365 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.869

Product Information

• Purity: 95%