ethylazanium;trimethylazanium;diiodide

C5H18I2N2 — CID 172824099

IUPACethylazanium;trimethylazanium;diiodide
SMILESCC[NH3+].C[NH+](C)C.[I-].[I-]
InChIInChI=1S/C3H9N.C2H7N.2HI/c1-4(2)3;1-2-3;;/h1-3H3;2-3H2,1H3;2*1H
InChIKeyUPWCOFVYMKMCOZ-UHFFFAOYSA-N
MW360.02 g/mol
LogP-7.98
Rot. Bonds

About ethylazanium;trimethylazanium;diiodide

ethylazanium;trimethylazanium;diiodide (PubChem CID 172824099) has the molecular formula C5H18I2N2 and a molecular weight of 360.02 g/mol. Its IUPAC name is ethylazanium;trimethylazanium;diiodide.

Molecular Properties

Compound Nameethylazanium;trimethylazanium;diiodide
PubChem CID172824099
Molecular FormulaC5H18I2N2
Molecular Weight360.02 g/mol
Exact Mass359.96
IUPAC Nameethylazanium;trimethylazanium;diiodide
SMILESCC[NH3+].C[NH+](C)C.[I-].[I-]
InChIInChI=1S/C3H9N.C2H7N.2HI/c1-4(2)3;1-2-3;;/h1-3H3;2-3H2,1H3;2*1H
InChIKeyUPWCOFVYMKMCOZ-UHFFFAOYSA-N
XLogP-7.98
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 5-7.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 2724024
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CID 174822809
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Frequently Asked Questions

What is the IUPAC name of ethylazanium;trimethylazanium;diiodide?
The IUPAC name of ethylazanium;trimethylazanium;diiodide (CID 172824099) is ethylazanium;trimethylazanium;diiodide.
What is the SMILES notation for ethylazanium;trimethylazanium;diiodide?
The canonical SMILES for ethylazanium;trimethylazanium;diiodide is CC[NH3+].C[NH+](C)C.[I-].[I-].
What is the InChIKey of ethylazanium;trimethylazanium;diiodide?
The InChIKey is UPWCOFVYMKMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H7N.2HI/c1-4(2)3;1-2-3;;/h1-3H3;2-3H2,1H3;2*1H.
What are the key properties of ethylazanium;trimethylazanium;diiodide?
ethylazanium;trimethylazanium;diiodide has a molecular weight of 360.02 g/mol, XLogP of -7.98, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;trimethylazanium;diiodide is sourced from PubChem (CID 172824099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).