N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

• ChemBase ID: 259278
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: o1c(ccc1C)CNC1CC1
• Canonical SMILES: Cc1ccc(o1)CNC1CC1
• InChI: InChI=1S/C9H13NO/c1-7-2-5-9(11-7)6-10-8-3-4-8/h2,5,8,10H,3-4,6H2,1H3
• InChIKey: URQGMRGIKXSJGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

Database IDs

• MDL Number: MFCD08060651
• PubChem SID: 164315188
• PubChem CID: 16781359

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3238533
• LogD (pH = 7.4): 0.40616432
• Log P: 1.2569672
• Molar Refractivity: 44.0578 cm^3
• Polarizability: 17.116032 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.539

Product Information

• Purity: 95%