1-Diazo-2,2-dimethylundecane

C₁₃H₂₆N₂ — CID 151446398

About 1-Diazo-2,2-dimethylundecane

1-Diazo-2,2-dimethylundecane (PubChem CID 151446398) has the molecular formula C₁₃H₂₆N₂ and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-diazo-2,2-dimethylundecane.

Molecular Properties

• Compound Name: 1-Diazo-2,2-dimethylundecane
• PubChem CID: 151446398
• Molecular Formula: C₁₃H₂₆N₂
• Molecular Weight: 210.36 g/mol
• Exact Mass: 210.21
• IUPAC Name: 1-diazo-2,2-dimethylundecane
• SMILES: CCCCCCCCCC(C)(C)C=[N+]=[N-]
• InChI: InChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-11-13(2,3)12-15-14/h12H,4-11H2,1-3H3
• InChIKey: PFOXVKSTYLRDTN-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 36.40 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.36
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-Diazo-2,2-dimethylundecane?

The IUPAC name of 1-Diazo-2,2-dimethylundecane (CID 151446398) is 1-diazo-2,2-dimethylundecane.

What is the SMILES notation for 1-Diazo-2,2-dimethylundecane?

The canonical SMILES for 1-Diazo-2,2-dimethylundecane is CCCCCCCCCC(C)(C)C=[N+]=[N-].

What is the InChIKey of 1-Diazo-2,2-dimethylundecane?

The InChIKey is PFOXVKSTYLRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-11-13(2,3)12-15-14/h12H,4-11H2,1-3H3.

What are the key properties of 1-Diazo-2,2-dimethylundecane?

1-Diazo-2,2-dimethylundecane has a molecular weight of 210.36 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Diazo-2,2-dimethylundecane is sourced from PubChem (CID 151446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151446398 — identifiers, structure, computed properties (public domain)

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