2,2-diethoxyethyl(trimethyl)azanium iodide

C9H22INO2 — CID 6432637

IUPAC2,2-diethoxyethyl(trimethyl)azanium iodide
SMILESCCOC(C[N+](C)(C)C)OCC.[I-]
InChIInChI=1S/C9H22NO2.HI/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyQJBGXTFFXWVDMA-UHFFFAOYSA-M
MW303.18 g/mol
LogP-1.90
Rot. Bonds6

About 2,2-diethoxyethyl(trimethyl)azanium iodide

2,2-diethoxyethyl(trimethyl)azanium iodide (PubChem CID 6432637) has the molecular formula C9H22INO2 and a molecular weight of 303.18 g/mol. Its IUPAC name is 2,2-diethoxyethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2,2-diethoxyethyl(trimethyl)azanium iodide
PubChem CID6432637
Molecular FormulaC9H22INO2
Molecular Weight303.18 g/mol
Exact Mass303.07
IUPAC Name2,2-diethoxyethyl(trimethyl)azanium iodide
SMILESCCOC(C[N+](C)(C)C)OCC.[I-]
InChIInChI=1S/C9H22NO2.HI/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyQJBGXTFFXWVDMA-UHFFFAOYSA-M
XLogP-1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 2,2-diethoxyethyl(trimethyl)azanium iodide?
The IUPAC name of 2,2-diethoxyethyl(trimethyl)azanium iodide (CID 6432637) is 2,2-diethoxyethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2,2-diethoxyethyl(trimethyl)azanium iodide?
The canonical SMILES for 2,2-diethoxyethyl(trimethyl)azanium iodide is CCOC(C[N+](C)(C)C)OCC.[I-].
What is the InChIKey of 2,2-diethoxyethyl(trimethyl)azanium iodide?
The InChIKey is QJBGXTFFXWVDMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO2.HI/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 2,2-diethoxyethyl(trimethyl)azanium iodide?
2,2-diethoxyethyl(trimethyl)azanium iodide has a molecular weight of 303.18 g/mol, XLogP of -1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl(trimethyl)azanium iodide is sourced from PubChem (CID 6432637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).