(furan-2-ylmethyl)[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine

• ChemBase ID: 183193
• Molecular Formular: C19H31NO
• Molecular Mass: 289.45554
• Monoisotopic Mass: 289.24056462
• SMILES: c1(occc1)CNCC(C/C=C(/CCC=C(C)C)\C)(C)C
• Canonical SMILES: C/C(=C\CC(CNCc1ccco1)(C)C)/CCC=C(C)C
• InChI: InChI=1S/C19H31NO/c1-16(2)8-6-9-17(3)11-12-19(4,5)15-20-14-18-10-7-13-21-18/h7-8,10-11,13,20H,6,9,12,14-15H2,1-5H3/b17-11+
• InChIKey: JJZWDYRSEKOOGL-GZTJUZNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine

Database IDs

• PubChem SID: 164239103
• PubChem CID: 1761035

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1321287
• LogD (pH = 7.4): 3.7029529
• Log P: 5.089005
• Molar Refractivity: 92.8434 cm^3
• Polarizability: 35.913322 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds