N-methyloct-2-ynehydrazide

• ChemBase ID: 80979
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N(C(=O)C#CCCCCC)(N)C
• Canonical SMILES: CCCCCC#CC(=O)N(N)C
• InChI: InChI=1S/C9H16N2O/c1-3-4-5-6-7-8-9(12)11(2)10/h3-6,10H2,1-2H3
• InChIKey: RULPJFPYYOYJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyloct-2-ynehydrazide
• IUPAC Traditional name: N-methyloct-2-ynehydrazide
• Synonyms: N1-Methyloct-2-ynohydrazide

Database IDs

• MDL Number: MFCD00119602
• PubChem SID: 162068098
• PubChem CID: 2776825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9145406
• LogD (pH = 7.4): 1.9169021
• Log P: 1.9169322
• Molar Refractivity: 50.8918 cm^3
• Polarizability: 18.843006 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful