2-[(2-cyclohexylethyl)amino]acetamide

• ChemBase ID: 267935
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(N)CNCCC1CCCCC1
• Canonical SMILES: NC(=O)CNCCC1CCCCC1
• InChI: InChI=1S/C10H20N2O/c11-10(13)8-12-7-6-9-4-2-1-3-5-9/h9,12H,1-8H2,(H2,11,13)
• InChIKey: KCEMYYDOGBIMDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-cyclohexylethyl)amino]acetamide
• IUPAC Traditional name: 2-[(2-cyclohexylethyl)amino]acetamide
• Synonyms: 2-[(2-cyclohexylethyl)amino]acetamide

Database IDs

• MDL Number: MFCD12767468
• PubChem SID: 164323845
• PubChem CID: 47003165

CALCULATED PROPERTIES

• Acid pKa: 16.687075
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1089728
• LogD (pH = 7.4): -0.6886493
• Log P: 0.95906043
• Molar Refractivity: 53.0232 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 1.649

Product Information

• Purity: 95%