diethylazanium iodide

C4H12IN — CID 29825

IUPACdiethylazanium iodide
SMILESCC[NH2+]CC.[I-]
InChIInChI=1S/C4H11N.HI/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyYYMLRIWBISZOMT-UHFFFAOYSA-N
MW201.05 g/mol
LogP-3.41
Rot. Bonds2

About diethylazanium iodide

diethylazanium iodide (PubChem CID 29825) has the molecular formula C4H12IN and a molecular weight of 201.05 g/mol. Its IUPAC name is diethylazanium iodide.

Molecular Properties

Compound Namediethylazanium iodide
PubChem CID29825
Molecular FormulaC4H12IN
Molecular Weight201.05 g/mol
Exact Mass201.00
IUPAC Namediethylazanium iodide
SMILESCC[NH2+]CC.[I-]
InChIInChI=1S/C4H11N.HI/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyYYMLRIWBISZOMT-UHFFFAOYSA-N
XLogP-3.41
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylazanium iodide?
The IUPAC name of diethylazanium iodide (CID 29825) is diethylazanium iodide.
What is the SMILES notation for diethylazanium iodide?
The canonical SMILES for diethylazanium iodide is CC[NH2+]CC.[I-].
What is the InChIKey of diethylazanium iodide?
The InChIKey is YYMLRIWBISZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.HI/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of diethylazanium iodide?
diethylazanium iodide has a molecular weight of 201.05 g/mol, XLogP of -3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium iodide is sourced from PubChem (CID 29825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).