N-(2-aminoethyl)-2,2-dimethylpropanamide

• ChemBase ID: 284090
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(C(C)(C)C)NCCN
• Canonical SMILES: NCCNC(=O)C(C)(C)C
• InChI: InChI=1S/C7H16N2O/c1-7(2,3)6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
• InChIKey: JCJIKGDYVOCAMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(2-aminoethyl)-2,2-dimethylpropanamide
• Synonyms: N-(2-aminoethyl)-2,2-dimethylpropanamide

Database IDs

• MDL Number: MFCD09737026
• PubChem SID: 180669621
• PubChem CID: 12841725

CALCULATED PROPERTIES

• Acid pKa: 16.324078
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.745865
• LogD (pH = 7.4): -1.5521715
• Log P: 0.19594036
• Molar Refractivity: 41.0148 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%