copper;butylazanium;tetraazide

C8H24CuN14 — CID 88640537

IUPACcopper;butylazanium;tetraazide
SMILESCCCC[NH3+].CCCC[NH3+].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/2C4H11N.Cu.4N3/c2*1-2-3-4-5;;4*1-3-2/h2*2-5H2,1H3;;;;;/q;;+2;4*-1/p+2
InChIKeyWEWGIDBCFRHSGI-UHFFFAOYSA-P
MW379.92 g/mol
LogP3.52
Rot. Bonds4

About copper;butylazanium;tetraazide

copper;butylazanium;tetraazide (PubChem CID 88640537) has the molecular formula C8H24CuN14 and a molecular weight of 379.92 g/mol. Its IUPAC name is copper;butylazanium;tetraazide.

Molecular Properties

Compound Namecopper;butylazanium;tetraazide
PubChem CID88640537
Molecular FormulaC8H24CuN14
Molecular Weight379.92 g/mol
Exact Mass379.16
IUPAC Namecopper;butylazanium;tetraazide
SMILESCCCC[NH3+].CCCC[NH3+].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/2C4H11N.Cu.4N3/c2*1-2-3-4-5;;4*1-3-2/h2*2-5H2,1H3;;;;;/q;;+2;4*-1/p+2
InChIKeyWEWGIDBCFRHSGI-UHFFFAOYSA-P
XLogP3.52
TPSA290.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.92
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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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Related Compounds

butylazanium;hydride
CID 141334193
triazanium;butylazanium;tetrabromide
CID 139693201
sodium;pentane;azide
CID 175098930
tetratriacontylazanium bromide
CID 141191350
tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
dodecylazanium;hydrochloride
CID 22568612
butylazanium;sulfate
CID 86618199
butylazanium;oxalate
CID 19844195
dodecylazanium;bromide;hydrate
CID 139078665
tridecylazanium;chloride;hydrate
CID 139080710
ethane;1-fluorohexane;hexylazanium
CID 145193616

Frequently Asked Questions

What is the IUPAC name of copper;butylazanium;tetraazide?
The IUPAC name of copper;butylazanium;tetraazide (CID 88640537) is copper;butylazanium;tetraazide.
What is the SMILES notation for copper;butylazanium;tetraazide?
The canonical SMILES for copper;butylazanium;tetraazide is CCCC[NH3+].CCCC[NH3+].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of copper;butylazanium;tetraazide?
The InChIKey is WEWGIDBCFRHSGI-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H11N.Cu.4N3/c2*1-2-3-4-5;;4*1-3-2/h2*2-5H2,1H3;;;;;/q;;+2;4*-1/p+2.
What are the key properties of copper;butylazanium;tetraazide?
copper;butylazanium;tetraazide has a molecular weight of 379.92 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;butylazanium;tetraazide is sourced from PubChem (CID 88640537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).