N,N-dimethylnon-2-ynamide

• ChemBase ID: 87143
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N(C(=O)C#CCCCCCC)(C)C
• Canonical SMILES: CCCCCCC#CC(=O)N(C)C
• InChI: InChI=1S/C11H19NO/c1-4-5-6-7-8-9-10-11(13)12(2)3/h4-8H2,1-3H3
• InChIKey: JCMPFANAACUZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylnon-2-ynamide
• IUPAC Traditional name: N,N-dimethylnon-2-ynamide
• Synonyms: N1,N1-dimethylnon-2-ynamide

Database IDs

• MDL Number: MFCD00108790
• PubChem SID: 162074259
• PubChem CID: 2801749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8816526
• LogD (pH = 7.4): 2.8816526
• Log P: 2.8816526
• Molar Refractivity: 55.9054 cm^3
• Polarizability: 21.10116 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true