2-iodoethyl(trimethyl)azanium iodide

C5H13I2N — CID 21188

IUPAC2-iodoethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCI.[I-]
InChIInChI=1S/C5H13IN.HI/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyHUOSDXNNLBQJLM-UHFFFAOYSA-M
MW340.97 g/mol
LogP-1.87
Rot. Bonds2

About 2-iodoethyl(trimethyl)azanium iodide

2-iodoethyl(trimethyl)azanium iodide (PubChem CID 21188) has the molecular formula C5H13I2N and a molecular weight of 340.97 g/mol. Its IUPAC name is 2-iodoethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-iodoethyl(trimethyl)azanium iodide
PubChem CID21188
Molecular FormulaC5H13I2N
Molecular Weight340.97 g/mol
Exact Mass340.91
IUPAC Name2-iodoethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCI.[I-]
InChIInChI=1S/C5H13IN.HI/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyHUOSDXNNLBQJLM-UHFFFAOYSA-M
XLogP-1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.97
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodoethyl(trimethyl)azanium iodide?
The IUPAC name of 2-iodoethyl(trimethyl)azanium iodide (CID 21188) is 2-iodoethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-iodoethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-iodoethyl(trimethyl)azanium iodide is C[N+](C)(C)CCI.[I-].
What is the InChIKey of 2-iodoethyl(trimethyl)azanium iodide?
The InChIKey is HUOSDXNNLBQJLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13IN.HI/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-iodoethyl(trimethyl)azanium iodide?
2-iodoethyl(trimethyl)azanium iodide has a molecular weight of 340.97 g/mol, XLogP of -1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethyl(trimethyl)azanium iodide is sourced from PubChem (CID 21188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).