1-diazo-2,2-dimethylundecane

C13H26N2 — CID 151446398

IUPAC1-diazo-2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C=[N+]=[N-]
InChIInChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-11-13(2,3)12-15-14/h12H,4-11H2,1-3H3
InChIKeyPFOXVKSTYLRDTN-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.45
Rot. Bonds9

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 Name1-diazo-2,2-dimethylundecane
PubChem CID151446398
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-diazo-2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C=[N+]=[N-]
InChIInChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-11-13(2,3)12-15-14/h12H,4-11H2,1-3H3
InChIKeyPFOXVKSTYLRDTN-UHFFFAOYSA-N
XLogP4.45
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

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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).