N-[2-(dimethylamino)ethyl]-2-methylpropanamide

• ChemBase ID: 279468
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(NCCN(C)C)C(C)C
• Canonical SMILES: CN(CCNC(=O)C(C)C)C
• InChI: InChI=1S/C8H18N2O/c1-7(2)8(11)9-5-6-10(3)4/h7H,5-6H2,1-4H3,(H,9,11)
• InChIKey: PNFGNHGNXRWCQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-2-methylpropanamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-2-methylpropanamide
• Synonyms: N-[2-(dimethylamino)ethyl]-2-methylpropanamide

Database IDs

• MDL Number: MFCD01698674
• PubChem SID: 164335378
• PubChem CID: 3047314

CALCULATED PROPERTIES

• Acid pKa: 16.408733
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4325898
• LogD (pH = 7.4): -0.68409425
• Log P: 0.4555544
• Molar Refractivity: 46.5831 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.405

Product Information

• Purity: 95%