N-[3-(dimethylamino)propyl]-N-(6-methylhept-5-en-2-yl)acetamide

• ChemBase ID: 189313
• Molecular Formular: C15H30N2O
• Molecular Mass: 254.4115
• Monoisotopic Mass: 254.23581359
• SMILES: C(=O)(N(C(CCC=C(C)C)C)CCCN(C)C)C
• Canonical SMILES: CN(CCCN(C(CCC=C(C)C)C)C(=O)C)C
• InChI: InChI=1S/C15H30N2O/c1-13(2)9-7-10-14(3)17(15(4)18)12-8-11-16(5)6/h9,14H,7-8,10-12H2,1-6H3
• InChIKey: JIIGUTTXPVYNLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-N-(6-methylhept-5-en-2-yl)acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-N-(6-methylhept-5-en-2-yl)acetamide

Database IDs

• PubChem SID: 164245223
• PubChem CID: 2872140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3170028
• LogD (pH = 7.4): 0.11444585
• Log P: 2.006719
• Molar Refractivity: 80.0368 cm^3
• Polarizability: 30.867847 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Syn/Anti isomers
• Classification: Rare Derivatives of Natural Compounds