2-ethyl-N-(2-ethylcyclohexyl)cyclohexan-1-amine

• ChemBase ID: 269352
• Molecular Formular: C16H31N
• Molecular Mass: 237.42404
• Monoisotopic Mass: 237.24565
• SMILES: N(C1C(CC)CCCC1)C1C(CC)CCCC1
• Canonical SMILES: CCC1CCCCC1NC1CCCCC1CC
• InChI: InChI=1S/C16H31N/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h13-17H,3-12H2,1-2H3
• InChIKey: CXWYZNJUCCUIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-(2-ethylcyclohexyl)cyclohexan-1-amine
• IUPAC Traditional name: 2-ethyl-N-(2-ethylcyclohexyl)cyclohexan-1-amine
• Synonyms: 2-ethyl-N-(2-ethylcyclohexyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD16817560
• PubChem SID: 164325262
• PubChem CID: 50987859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7834985
• LogD (pH = 7.4): 1.8402966
• Log P: 5.0247455
• Molar Refractivity: 74.867 cm^3
• Polarizability: 30.325018 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.64

Product Information

• Purity: 95%