N-(furan-2-ylmethyl)cyclopentanamine

• ChemBase ID: 13422
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1cc(oc1)CNC1CCCC1
• Canonical SMILES: C1CCC(C1)NCc1ccco1
• InChI: InChI=1S/C10H15NO/c1-2-5-9(4-1)11-8-10-6-3-7-12-10/h3,6-7,9,11H,1-2,4-5,8H2
• InChIKey: QTSNVDAUJAGULA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)cyclopentanamine
• IUPAC Traditional name: N-(furan-2-ylmethyl)cyclopentanamine
• Synonyms: Cyclopentyl-furan-2-ylmethyl-amine; N-(furan-2-ylmethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD03724766
• PubChem SID: 160976729
• PubChem CID: 1080489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0003926
• LogD (pH = 7.4): 0.57979035
• Log P: 1.9465431
• Molar Refractivity: 48.1101 cm^3
• Polarizability: 19.035944 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.158

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%