1,4-diazido-2,2,3,3-tetramethylbutane

C8H16N6 — CID 89128179

IUPAC1,4-diazido-2,2,3,3-tetramethylbutane
SMILESCC(C)(CN=[N+]=[N-])C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C8H16N6/c1-7(2,5-11-13-9)8(3,4)6-12-14-10/h5-6H2,1-4H3
InChIKeyJPAUOVFKCSYOMZ-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.66
Rot. Bonds5

About 1,4-diazido-2,2,3,3-tetramethylbutane

1,4-diazido-2,2,3,3-tetramethylbutane (PubChem CID 89128179) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 1,4-diazido-2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name1,4-diazido-2,2,3,3-tetramethylbutane
PubChem CID89128179
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name1,4-diazido-2,2,3,3-tetramethylbutane
SMILESCC(C)(CN=[N+]=[N-])C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C8H16N6/c1-7(2,5-11-13-9)8(3,4)6-12-14-10/h5-6H2,1-4H3
InChIKeyJPAUOVFKCSYOMZ-UHFFFAOYSA-N
XLogP3.66
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazido-2,2,3,3-tetramethylbutane?
The IUPAC name of 1,4-diazido-2,2,3,3-tetramethylbutane (CID 89128179) is 1,4-diazido-2,2,3,3-tetramethylbutane.
What is the SMILES notation for 1,4-diazido-2,2,3,3-tetramethylbutane?
The canonical SMILES for 1,4-diazido-2,2,3,3-tetramethylbutane is CC(C)(CN=[N+]=[N-])C(C)(C)CN=[N+]=[N-].
What is the InChIKey of 1,4-diazido-2,2,3,3-tetramethylbutane?
The InChIKey is JPAUOVFKCSYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-7(2,5-11-13-9)8(3,4)6-12-14-10/h5-6H2,1-4H3.
What are the key properties of 1,4-diazido-2,2,3,3-tetramethylbutane?
1,4-diazido-2,2,3,3-tetramethylbutane has a molecular weight of 196.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazido-2,2,3,3-tetramethylbutane is sourced from PubChem (CID 89128179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).