[5-(2-methylcyclopropyl)furan-2-yl]methanamine

• ChemBase ID: 260355
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: C1(c2oc(cc2)CN)CC1C
• Canonical SMILES: CC1CC1c1ccc(o1)CN
• InChI: InChI=1S/C9H13NO/c1-6-4-8(6)9-3-2-7(5-10)11-9/h2-3,6,8H,4-5,10H2,1H3
• InChIKey: HHJHAYJSCJKLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-methylcyclopropyl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(2-methylcyclopropyl)furan-2-yl]methanamine
• Synonyms: [5-(2-methylcyclopropyl)furan-2-yl]methanamine

Database IDs

• MDL Number: MFCD09739096
• PubChem SID: 164316265
• PubChem CID: 16792297

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3938788
• LogD (pH = 7.4): 0.2940186
• Log P: 1.0696106
• Molar Refractivity: 43.814 cm^3
• Polarizability: 17.114403 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.732

Product Information

• Purity: 95%