[(2E)-3,7-dimethylocta-2,6-dien-1-yl](furan-2-ylmethyl)amine

• ChemBase ID: 182838
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: c1(occc1)CNC/C=C(/CCC=C(C)C)\C
• Canonical SMILES: C/C(=C\CNCc1ccco1)/CCC=C(C)C
• InChI: InChI=1S/C15H23NO/c1-13(2)6-4-7-14(3)9-10-16-12-15-8-5-11-17-15/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3/b14-9+
• InChIKey: XMTILSZPRSYDMD-NTEUORMPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3,7-dimethylocta-2,6-dien-1-yl](furan-2-ylmethyl)amine
• IUPAC Traditional name: [(2E)-3,7-dimethylocta-2,6-dien-1-yl](furan-2-ylmethyl)amine

Database IDs

• PubChem SID: 164238748
• PubChem CID: 1760685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3061696
• LogD (pH = 7.4): 3.0256789
• Log P: 3.6128016
• Molar Refractivity: 74.6177 cm^3
• Polarizability: 28.526966 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds