2-amino-N-cyclohexyl-N-methylacetamide

• ChemBase ID: 123846
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N(C(=O)CN)(C1CCCCC1)C
• Canonical SMILES: NCC(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C9H18N2O/c1-11(9(12)7-10)8-5-3-2-4-6-8/h8H,2-7,10H2,1H3
• InChIKey: MGXJYIVUEUQMEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methylacetamide
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methylacetamide
• Synonyms: 2-amino-N-cyclohexyl-N-methylacetamide

Database IDs

• MDL Number: MFCD12144928
• PubChem SID: 162218199
• PubChem CID: 43422879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1957223
• LogD (pH = 7.4): -0.5116391
• Log P: 0.2922045
• Molar Refractivity: 48.6332 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.856

Product Information

• Purity: 95%