2-amino-N-cyclohexylacetamide

• ChemBase ID: 123740
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NC1CCCCC1)CN
• Canonical SMILES: NCC(=O)NC1CCCCC1
• InChI: InChI=1S/C8H16N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6,9H2,(H,10,11)
• InChIKey: MQLOXQXPTSLRTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexylacetamide
• IUPAC Traditional name: 2-amino-N-cyclohexylacetamide
• Synonyms: 2-amino-N-cyclohexylacetamide; 2-Amino-N-cyclohexyl-acetamide

Database IDs

• CAS Number: 16817-90-6
• PubChem SID: 162218093
• PubChem CID: 408592

CALCULATED PROPERTIES

• Acid pKa: 15.912793
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4242935
• LogD (pH = 7.4): -0.74109024
• Log P: 0.06852843
• Molar Refractivity: 43.7365 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true