2-amino-N-(cyclohexylmethyl)-2-methylpropanamide

• ChemBase ID: 240853
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: C(=O)(NCC1CCCCC1)C(N)(C)C
• Canonical SMILES: O=C(C(N)(C)C)NCC1CCCCC1
• InChI: InChI=1S/C11H22N2O/c1-11(2,12)10(14)13-8-9-6-4-3-5-7-9/h9H,3-8,12H2,1-2H3,(H,13,14)
• InChIKey: ZAKBGZSBXBJOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14608684
• PubChem SID: 164296763
• PubChem CID: 61266950

CALCULATED PROPERTIES

• Acid pKa: 16.04196
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3986241
• LogD (pH = 7.4): 0.12530312
• Log P: 1.3850713
• Molar Refractivity: 57.6745 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.663

Product Information

• Purity: 95%