cyclopentyl(5-methylfuran-2-yl)methanamine

• ChemBase ID: 235703
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(oc(cc1)C)C(C1CCCC1)N
• Canonical SMILES: NC(c1ccc(o1)C)C1CCCC1
• InChI: InChI=1S/C11H17NO/c1-8-6-7-10(13-8)11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,12H2,1H3
• InChIKey: JENIPKUBWPSVHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(5-methylfuran-2-yl)methanamine
• IUPAC Traditional name: cyclopentyl(5-methylfuran-2-yl)methanamine
• Synonyms: cyclopentyl(5-methylfuran-2-yl)methanamine

Database IDs

• MDL Number: MFCD16087131
• PubChem SID: 164291613
• PubChem CID: 58736214

CALCULATED PROPERTIES

• Molar Refractivity: 52.8862 cm^3
• Polarizability: 20.80226 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.61594653
• LogD (pH = 7.4): 0.98000115
• Log P: 2.0883038

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.64

Product Information

• Purity: 95%