N-[3-(dimethylamino)propyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

• ChemBase ID: 182408
• Molecular Formular: C17H32N2O
• Molecular Mass: 280.44878
• Monoisotopic Mass: 280.25146365
• SMILES: C1(CN(C(=O)C)CCCN(C)C)C(C=C(CC1C)C)C
• Canonical SMILES: CN(CCCN(C(=O)C)CC1C(C)CC(=CC1C)C)C
• InChI: InChI=1S/C17H32N2O/c1-13-10-14(2)17(15(3)11-13)12-19(16(4)20)9-7-8-18(5)6/h10,14-15,17H,7-9,11-12H2,1-6H3
• InChIKey: ZLYRCIIIWXAQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

Database IDs

• PubChem SID: 164238318
• PubChem CID: 2859462

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2582959
• LogD (pH = 7.4): 0.17314807
• Log P: 2.0654292
• Molar Refractivity: 87.3846 cm^3
• Polarizability: 33.8223 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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