N-(4-aminocyclohexyl)acetamide

• ChemBase ID: 267897
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NC1CCC(N)CC1)C
• Canonical SMILES: NC1CCC(CC1)NC(=O)C
• InChI: InChI=1S/C8H16N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h7-8H,2-5,9H2,1H3,(H,10,11)
• InChIKey: DGCIBJXJCNPBTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminocyclohexyl)acetamide
• IUPAC Traditional name: N-(4-aminocyclohexyl)acetamide
• Synonyms: N-(4-aminocyclohexyl)acetamide

Database IDs

• MDL Number: MFCD09806877
• PubChem SID: 164323807
• PubChem CID: 23003862

CALCULATED PROPERTIES

• Acid pKa: 16.214128
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5237339
• LogD (pH = 7.4): -3.070464
• Log P: -0.50094205
• Molar Refractivity: 43.7038 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

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -1.034

Product Information

• Purity: 95%