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

• ChemBase ID: 183784
• Molecular Formular: C18H35N
• Molecular Mass: 265.4772
• Monoisotopic Mass: 265.27695013
• SMILES: C(=C(\CCC=C(C)C)/C)\CC(CNCC(C)C)(C)C
• Canonical SMILES: CC(CNCC(C/C=C(\CCC=C(C)C)/C)(C)C)C
• InChI: InChI=1S/C18H35N/c1-15(2)9-8-10-17(5)11-12-18(6,7)14-19-13-16(3)4/h9,11,16,19H,8,10,12-14H2,1-7H3/b17-11-
• InChIKey: DKMYBUGWVUTDML-BOPFTXTBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239694
• PubChem CID: 1771083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3091238
• LogD (pH = 7.4): 2.473552
• Log P: 5.5485888
• Molar Refractivity: 89.5841 cm^3
• Polarizability: 35.047466 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds