1-amino-N,N-diethylcyclohexane-1-carboxamide

• ChemBase ID: 262071
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: C(=O)(C1(N)CCCCC1)N(CC)CC
• Canonical SMILES: CCN(C(=O)C1(N)CCCCC1)CC
• InChI: InChI=1S/C11H22N2O/c1-3-13(4-2)10(14)11(12)8-6-5-7-9-11/h3-9,12H2,1-2H3
• InChIKey: LTIKAHOLVVSRIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N,N-diethylcyclohexane-1-carboxamide
• IUPAC Traditional name: 1-amino-N,N-diethylcyclohexane-1-carboxamide
• Synonyms: 1-amino-N,N-diethylcyclohexane-1-carboxamide

Database IDs

• MDL Number: MFCD09935128
• PubChem SID: 164317981
• PubChem CID: 24696467

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5911702
• LogD (pH = 7.4): -0.12056665
• Log P: 1.2339675
• Molar Refractivity: 58.1702 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.814

Product Information

• Purity: 95%