N,N-bis(6-methylhept-5-en-2-yl)formamide

• ChemBase ID: 180612
• Molecular Formular: C17H31NO
• Molecular Mass: 265.43414
• Monoisotopic Mass: 265.24056462
• SMILES: N(C=O)(C(CCC=C(C)C)C)C(CCC=C(C)C)C
• Canonical SMILES: O=CN(C(CCC=C(C)C)C)C(CCC=C(C)C)C
• InChI: InChI=1S/C17H31NO/c1-14(2)9-7-11-16(5)18(13-19)17(6)12-8-10-15(3)4/h9-10,13,16-17H,7-8,11-12H2,1-6H3
• InChIKey: DPLSPVPSCNGGTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(6-methylhept-5-en-2-yl)formamide
• IUPAC Traditional name: N,N-bis(6-methylhept-5-en-2-yl)formamide

Database IDs

• PubChem SID: 164236522
• PubChem CID: 2867109

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.390461
• LogD (pH = 7.4): 4.390467
• Log P: 4.390467
• Molar Refractivity: 85.5548 cm^3
• Polarizability: 32.80233 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds