1-amino-N-propylcyclohexane-1-carboxamide

• ChemBase ID: 268204
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(C1(N)CCCCC1)NCCC
• Canonical SMILES: CCCNC(=O)C1(N)CCCCC1
• InChI: InChI=1S/C10H20N2O/c1-2-8-12-9(13)10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13)
• InChIKey: QTPSTJFEZGTHLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-propylcyclohexane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-propylcyclohexane-1-carboxamide
• Synonyms: 1-amino-N-propylcyclohexane-1-carboxamide

Database IDs

• MDL Number: MFCD09940938
• PubChem SID: 164324114
• PubChem CID: 24701829

CALCULATED PROPERTIES

• Acid pKa: 16.00958
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.651844
• LogD (pH = 7.4): -0.18524316
• Log P: 1.176006
• Molar Refractivity: 53.0489 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.384

Product Information

• Purity: 95%