4-diazo-2,2,6,6-tetramethylheptane

C11H22N2 — CID 20728936

IUPAC4-diazo-2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CC(CC(C)(C)C)=[N+]=[N-]
InChIInChI=1S/C11H22N2/c1-10(2,3)7-9(13-12)8-11(4,5)6/h7-8H2,1-6H3
InChIKeyZADBJAZNCOZFJX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.53
Rot. Bonds2

About 4-diazo-2,2,6,6-tetramethylheptane

4-diazo-2,2,6,6-tetramethylheptane (PubChem CID 20728936) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-diazo-2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Name4-diazo-2,2,6,6-tetramethylheptane
PubChem CID20728936
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-diazo-2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CC(CC(C)(C)C)=[N+]=[N-]
InChIInChI=1S/C11H22N2/c1-10(2,3)7-9(13-12)8-11(4,5)6/h7-8H2,1-6H3
InChIKeyZADBJAZNCOZFJX-UHFFFAOYSA-N
XLogP3.53
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of 4-diazo-2,2,6,6-tetramethylheptane?
The IUPAC name of 4-diazo-2,2,6,6-tetramethylheptane (CID 20728936) is 4-diazo-2,2,6,6-tetramethylheptane.
What is the SMILES notation for 4-diazo-2,2,6,6-tetramethylheptane?
The canonical SMILES for 4-diazo-2,2,6,6-tetramethylheptane is CC(C)(C)CC(CC(C)(C)C)=[N+]=[N-].
What is the InChIKey of 4-diazo-2,2,6,6-tetramethylheptane?
The InChIKey is ZADBJAZNCOZFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,3)7-9(13-12)8-11(4,5)6/h7-8H2,1-6H3.
What are the key properties of 4-diazo-2,2,6,6-tetramethylheptane?
4-diazo-2,2,6,6-tetramethylheptane has a molecular weight of 182.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-2,2,6,6-tetramethylheptane is sourced from PubChem (CID 20728936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).