2-methoxyethyl(trimethyl)azanium iodide

C6H16INO — CID 20229

IUPAC2-methoxyethyl(trimethyl)azanium iodide
SMILESCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NO.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyMZQMJDMSBIOZRX-UHFFFAOYSA-M
MW245.10 g/mol
LogP-2.66
Rot. Bonds3

About 2-methoxyethyl(trimethyl)azanium iodide

2-methoxyethyl(trimethyl)azanium iodide (PubChem CID 20229) has the molecular formula C6H16INO and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)azanium iodide
PubChem CID20229
Molecular FormulaC6H16INO
Molecular Weight245.10 g/mol
Exact Mass245.03
IUPAC Name2-methoxyethyl(trimethyl)azanium iodide
SMILESCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NO.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyMZQMJDMSBIOZRX-UHFFFAOYSA-M
XLogP-2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methoxyethyl(trimethyl)azanium iodide?
The IUPAC name of 2-methoxyethyl(trimethyl)azanium iodide (CID 20229) is 2-methoxyethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-methoxyethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-methoxyethyl(trimethyl)azanium iodide is COCC[N+](C)(C)C.[I-].
What is the InChIKey of 2-methoxyethyl(trimethyl)azanium iodide?
The InChIKey is MZQMJDMSBIOZRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.HI/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-methoxyethyl(trimethyl)azanium iodide?
2-methoxyethyl(trimethyl)azanium iodide has a molecular weight of 245.10 g/mol, XLogP of -2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)azanium iodide is sourced from PubChem (CID 20229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).