2-(furan-2-ylmethyl)cyclohexan-1-amine

• ChemBase ID: 245968
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(occc1)CC1C(N)CCCC1
• Canonical SMILES: NC1CCCCC1Cc1ccco1
• InChI: InChI=1S/C11H17NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7,9,11H,1-2,4,6,8,12H2
• InChIKey: ZIBHXQIBGRPJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-ylmethyl)cyclohexan-1-amine
• IUPAC Traditional name: 2-(furan-2-ylmethyl)cyclohexan-1-amine
• Synonyms: 2-(2-furylmethyl)cyclohexanamine

Database IDs

• CAS Number: 67823-66-9
• MDL Number: MFCD00235192
• PubChem SID: 164301878
• PubChem CID: 4961889

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0047615
• LogD (pH = 7.4): -0.6569198
• Log P: 2.0214963
• Molar Refractivity: 52.6455 cm^3
• Polarizability: 20.805397 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.48

Product Information

• Purity: 95%