N-cyclohexyl-2-(methylamino)acetamide

• ChemBase ID: 35454
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(NC1CCCCC1)CNC
• Canonical SMILES: CNCC(=O)NC1CCCCC1
• InChI: InChI=1S/C9H18N2O/c1-10-7-9(12)11-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: KBBYYWYDZXAMOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(methylamino)acetamide
• Synonyms: N-Cyclohexyl-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD09948158
• PubChem SID: 160998761
• PubChem CID: 24708532

CALCULATED PROPERTIES

• Acid pKa: 15.957859
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4698722
• LogD (pH = 7.4): -0.9132064
• Log P: 0.5011088
• Molar Refractivity: 48.5111 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false