N-(furan-3-ylmethyl)cyclohexanamine

• ChemBase ID: 279149
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(cocc1)CNC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCc1cocc1
• InChI: InChI=1S/C11H17NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h6-7,9,11-12H,1-5,8H2
• InChIKey: WOKDOHAOOOCYGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(furan-3-ylmethyl)cyclohexanamine
• Synonyms: N-(furan-3-ylmethyl)cyclohexanamine

Database IDs

• MDL Number: MFCD02177427
• PubChem SID: 164335059
• PubChem CID: 828980

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.682212
• LogD (pH = 7.4): 0.5036413
• Log P: 2.4711106
• Molar Refractivity: 52.8336 cm^3
• Polarizability: 20.879097 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.717

Product Information

• Purity: 95%