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

• ChemBase ID: 185537
• Molecular Formular: C16H31N
• Molecular Mass: 237.42404
• Monoisotopic Mass: 237.24565
• SMILES: C(=C(\CCC=C(C)C)/C)/CC(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C/C=C(/CCC=C(C)C)\C)(C)C)C
• InChI: InChI=1S/C16H31N/c1-14(2)9-8-10-15(3)11-12-16(4,5)13-17(6)7/h9,11H,8,10,12-13H2,1-7H3/b15-11+
• InChIKey: WKEGNKOFLJKAJS-RVDMUPIBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241447
• PubChem CID: 5580358

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2424353
• LogD (pH = 7.4): 2.2650297
• Log P: 4.6873336
• Molar Refractivity: 81.1346 cm^3
• Polarizability: 31.35353 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds