3-amino-N-ethyl-2,2-dimethylpropanamide

• ChemBase ID: 241546
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(C(=O)NCC)(CN)(C)C
• Canonical SMILES: CCNC(=O)C(CN)(C)C
• InChI: InChI=1S/C7H16N2O/c1-4-9-6(10)7(2,3)5-8/h4-5,8H2,1-3H3,(H,9,10)
• InChIKey: SDYOQWNQOQNURG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16117907
• PubChem SID: 164297456
• PubChem CID: 61826263

CALCULATED PROPERTIES

• Acid pKa: 16.358654
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9827106
• LogD (pH = 7.4): -1.8009157
• Log P: -0.037920833
• Molar Refractivity: 41.2458 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Product Information

• Purity: 95%