(2-ethylhexyl)bis(prop-2-en-1-yl)amine

• ChemBase ID: 108260
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: CCCCC(CC)CN(CC=C)CC=C
• Canonical SMILES: CCCCC(CN(CC=C)CC=C)CC
• InChI: InChI=1S/C14H27N/c1-5-9-10-14(8-4)13-15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-13H2,1,4H3
• InChIKey: PKRVTDDDDQCHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylhexyl)bis(prop-2-en-1-yl)amine
• IUPAC Traditional name: (2-ethylhexyl)bis(prop-2-en-1-yl)amine
• Synonyms: DL-DIALLYL-2-ETHYLHEXYLAMINE

Database IDs

• PubChem SID: 162106130
• PubChem CID: 19751114

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.347568
• LogD (pH = 7.4): 2.7715123
• Log P: 4.6752467
• Molar Refractivity: 70.4617 cm^3
• Polarizability: 27.659636 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206709

MP Biomedicals Rare Chemical collection