N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide

• ChemBase ID: 188829
• Molecular Formular: C19H35NO
• Molecular Mass: 293.4873
• Monoisotopic Mass: 293.27186475
• SMILES: N(C=O)(CC(CC=C(C)C)(C)C)CC(CC=C(C)C)(C)C
• Canonical SMILES: O=CN(CC(CC=C(C)C)(C)C)CC(CC=C(C)C)(C)C
• InChI: InChI=1S/C19H35NO/c1-16(2)9-11-18(5,6)13-20(15-21)14-19(7,8)12-10-17(3)4/h9-10,15H,11-14H2,1-8H3
• InChIKey: GBYHFQJWSDARAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide
• IUPAC Traditional name: N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide

Database IDs

• PubChem SID: 164244739
• PubChem CID: 2872358

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0432262
• LogD (pH = 7.4): 5.043264
• Log P: 5.0432644
• Molar Refractivity: 94.4566 cm^3
• Polarizability: 36.495052 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds