2-amino-N-methylcyclohexane-1-carboxamide

• ChemBase ID: 241428
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(C(=O)NC)C(N)CCCC1
• Canonical SMILES: CNC(=O)C1CCCCC1N
• InChI: InChI=1S/C8H16N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h6-7H,2-5,9H2,1H3,(H,10,11)
• InChIKey: CNTLKDRKZHDGJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylcyclohexane-1-carboxamide
• IUPAC Traditional name: 2-amino-N-methylcyclohexane-1-carboxamide
• Synonyms: 2-amino-N-methylcyclohexane-1-carboxamide

Database IDs

• MDL Number: MFCD17219795
• PubChem SID: 164297338
• PubChem CID: 13697510

CALCULATED PROPERTIES

• Acid pKa: 16.321629
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0088053
• LogD (pH = 7.4): -1.9978405
• Log P: -0.030802907
• Molar Refractivity: 43.7378 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.071

Product Information

• Purity: 95%