(E)-(furan-2-ylmethyl)(2-methyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]methyl}propylidene)amine

• ChemBase ID: 183003
• Molecular Formular: C19H27NO
• Molecular Mass: 285.42378
• Monoisotopic Mass: 285.20926449
• SMILES: C1(=C(CCC1C(=C)C)C)CC(/C=N/Cc1occc1)(C)C
• Canonical SMILES: CC(=C)C1CCC(=C1CC(/C=N/Cc1ccco1)(C)C)C
• InChI: InChI=1S/C19H27NO/c1-14(2)17-9-8-15(3)18(17)11-19(4,5)13-20-12-16-7-6-10-21-16/h6-7,10,13,17H,1,8-9,11-12H2,2-5H3/b20-13+
• InChIKey: WJNXJWPKPRITFS-DEDYPNTBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(furan-2-ylmethyl)(2-methyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]methyl}propylidene)amine
• IUPAC Traditional name: (E)-(furan-2-ylmethyl)(2-methyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]methyl}propylidene)amine

Database IDs

• PubChem SID: 164238913
• PubChem CID: 4420170

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9627604
• LogD (pH = 7.4): 4.533583
• Log P: 4.5489426
• Molar Refractivity: 89.1361 cm^3
• Polarizability: 34.35922 Å^3
• Polar Surface Area: 25.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds