2-(2,2-dimethylpropylidene)-1,1-dimethylhydrazine

• ChemBase ID: 81798
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N(=C\C(C)(C)C)/N(C)C
• Canonical SMILES: CN(/N=C/C(C)(C)C)C
• InChI: InChI=1S/C7H16N2/c1-7(2,3)6-8-9(4)5/h6H,1-5H3
• InChIKey: GHUPKCPUHJIMJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dimethylpropylidene)-1,1-dimethylhydrazine
• IUPAC Traditional name: 2-(2,2-dimethylpropylidene)-1,1-dimethylhydrazine
• Synonyms: 2,2-dimethylpropanal N,N-dimethylhydrazone

Database IDs

• MDL Number: MFCD01570215
• PubChem SID: 162068917
• PubChem CID: 6428954

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.1842767
• LogD (pH = 7.4): 1.2978717
• Log P: 1.2995304
• Molar Refractivity: 40.5712 cm^3
• Polarizability: 15.788453 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0