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

• ChemBase ID: 185159
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: C(=CCC/C(=C/CNCC(C)C)/C)(C)C
• Canonical SMILES: CC(CNC/C=C(/CCC=C(C)C)\C)C
• InChI: InChI=1S/C14H27N/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,9,13,15H,6,8,10-11H2,1-5H3/b14-9+
• InChIKey: FENJGSXJFWEQKJ-NTEUORMPSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241069
• PubChem CID: 1794760

CALCULATED PROPERTIES

• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8501883
• LogD (pH = 7.4): 1.5026672
• Log P: 4.072385
• Molar Refractivity: 71.3584 cm^3
• Polarizability: 27.659636 Å^3

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds