2-amino-N-(1-methylcyclohexyl)acetamide

• ChemBase ID: 286339
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N(C(=O)CN)C1(C)CCCCC1
• Canonical SMILES: NCC(=O)NC1(C)CCCCC1
• InChI: InChI=1S/C9H18N2O/c1-9(11-8(12)7-10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12)
• InChIKey: XVTVRSRZFVUZGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(1-methylcyclohexyl)acetamide
• IUPAC Traditional name: 2-amino-N-(1-methylcyclohexyl)acetamide
• Synonyms: 2-amino-N-(1-methylcyclohexyl)acetamide

Database IDs

• MDL Number: MFCD16128046
• PubChem SID: 180671870
• PubChem CID: 23454139

CALCULATED PROPERTIES

• Acid pKa: 15.861362
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1435254
• LogD (pH = 7.4): -0.46028706
• Log P: 0.3491051
• Molar Refractivity: 48.3747 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.945

Product Information

• Purity: 95%