2-hydroxyethyl(trimethyl)azanium triiodide

C5H14I3NO — CID 18406425

IUPAC2-hydroxyethyl(trimethyl)azanium triiodide
SMILESC[N+](C)(C)CCO.I[I-]I
InChIInChI=1S/C5H14NO.I3/c1-6(2,3)4-5-7;1-3-2/h7H,4-5H2,1-3H3;/q+1;-1
InChIKeyKUANJEDBJGBOBM-UHFFFAOYSA-N
MW484.89 g/mol
LogP-1.54
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium triiodide

2-hydroxyethyl(trimethyl)azanium triiodide (PubChem CID 18406425) has the molecular formula C5H14I3NO and a molecular weight of 484.89 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium triiodide.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium triiodide
PubChem CID18406425
Molecular FormulaC5H14I3NO
Molecular Weight484.89 g/mol
Exact Mass484.82
IUPAC Name2-hydroxyethyl(trimethyl)azanium triiodide
SMILESC[N+](C)(C)CCO.I[I-]I
InChIInChI=1S/C5H14NO.I3/c1-6(2,3)4-5-7;1-3-2/h7H,4-5H2,1-3H3;/q+1;-1
InChIKeyKUANJEDBJGBOBM-UHFFFAOYSA-N
XLogP-1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
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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Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
CID 87573240
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium triiodide?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium triiodide (CID 18406425) is 2-hydroxyethyl(trimethyl)azanium triiodide.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium triiodide?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium triiodide is C[N+](C)(C)CCO.I[I-]I.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium triiodide?
The InChIKey is KUANJEDBJGBOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.I3/c1-6(2,3)4-5-7;1-3-2/h7H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium triiodide?
2-hydroxyethyl(trimethyl)azanium triiodide has a molecular weight of 484.89 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium triiodide is sourced from PubChem (CID 18406425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).