N-[3-(dimethylamino)propyl]-N-(3,7-dimethyloct-6-en-1-yl)acetamide

• ChemBase ID: 185221
• Molecular Formular: C17H34N2O
• Molecular Mass: 282.46466
• Monoisotopic Mass: 282.26711372
• SMILES: C(=O)(N(CCC(CCC=C(C)C)C)CCCN(C)C)C
• Canonical SMILES: CC(CCN(C(=O)C)CCCN(C)C)CCC=C(C)C
• InChI: InChI=1S/C17H34N2O/c1-15(2)9-7-10-16(3)11-14-19(17(4)20)13-8-12-18(5)6/h9,16H,7-8,10-14H2,1-6H3
• InChIKey: BFLLZIRTMXAVEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-N-(3,7-dimethyloct-6-en-1-yl)acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-N-(3,7-dimethyloct-6-en-1-yl)acetamide

Database IDs

• PubChem SID: 164241131
• PubChem CID: 3742911

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5574234
• LogD (pH = 7.4): 0.8740193
• Log P: 2.7663004
• Molar Refractivity: 89.3686 cm^3
• Polarizability: 34.55901 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds