{4-[bis(prop-2-en-1-yl)amino]but-2-en-1-yl}bis(prop-2-en-1-yl)amine

• ChemBase ID: 110503
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: C=CCN(CC=C)C/C=C/CN(CC=C)CC=C
• Canonical SMILES: C=CCN(CC=C)C/C=C/CN(CC=C)CC=C
• InChI: InChI=1S/C16H26N2/c1-5-11-17(12-6-2)15-9-10-16-18(13-7-3)14-8-4/h5-10H,1-4,11-16H2
• InChIKey: GCYNFVBJYMNOLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[bis(prop-2-en-1-yl)amino]but-2-en-1-yl}bis(prop-2-en-1-yl)amine
• IUPAC Traditional name: {4-[bis(prop-2-en-1-yl)amino]but-2-en-1-yl}bis(prop-2-en-1-yl)amine
• Synonyms: 1,4-bis(DIALLYLAMINO)BUTENE-2

Database IDs

• PubChem SID: 162106382
• PubChem CID: 19751116

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5925605
• LogD (pH = 7.4): 1.9536645
• Log P: 3.6610289
• Molar Refractivity: 84.9766 cm^3
• Polarizability: 32.181004 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215292

MP Biomedicals Rare Chemical collection