2-hydroxyethyl(methyl)azanium iodide

C3H10INO — CID 87299375

IUPAC2-hydroxyethyl(methyl)azanium iodide
SMILESC[NH2+]CCO.[I-]
InChIInChI=1S/C3H9NO.HI/c1-4-2-3-5;/h4-5H,2-3H2,1H3;1H
InChIKeyVFQHEQQRHQPFET-UHFFFAOYSA-N
MW203.02 g/mol
LogP-4.82
Rot. Bonds2

About 2-hydroxyethyl(methyl)azanium iodide

2-hydroxyethyl(methyl)azanium iodide (PubChem CID 87299375) has the molecular formula C3H10INO and a molecular weight of 203.02 g/mol. Its IUPAC name is 2-hydroxyethyl(methyl)azanium iodide.

Molecular Properties

Compound Name2-hydroxyethyl(methyl)azanium iodide
PubChem CID87299375
Molecular FormulaC3H10INO
Molecular Weight203.02 g/mol
Exact Mass202.98
IUPAC Name2-hydroxyethyl(methyl)azanium iodide
SMILESC[NH2+]CCO.[I-]
InChIInChI=1S/C3H9NO.HI/c1-4-2-3-5;/h4-5H,2-3H2,1H3;1H
InChIKeyVFQHEQQRHQPFET-UHFFFAOYSA-N
XLogP-4.82
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.02
LogP ≤ 5-4.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azanium bis(2-hydroxyethyl)azanium
CID 18521410
hydroxymethylphosphanium iodide
CID 157433907
bis(2-hydroxyethyl)azanium;bromide;chloride
CID 87517996
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 7004670
sodium;propan-1-ol;iodide
CID 174317067
ethanol iodide
CID 22987629
copper(1+);ethane-1,2-diol;iodide
CID 175285814
[dibromo(methyl)-λ4-tellanyl]methane;hexakis(ethane-1,2-diol)
CID 175355796
calcium;ethanol;diiodide
CID 174747257
ethane-1,2-diol;methanethiol
CID 174955680
bis(2-hydroxyethyl)azanium nitrite
CID 87299481

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(methyl)azanium iodide?
The IUPAC name of 2-hydroxyethyl(methyl)azanium iodide (CID 87299375) is 2-hydroxyethyl(methyl)azanium iodide.
What is the SMILES notation for 2-hydroxyethyl(methyl)azanium iodide?
The canonical SMILES for 2-hydroxyethyl(methyl)azanium iodide is C[NH2+]CCO.[I-].
What is the InChIKey of 2-hydroxyethyl(methyl)azanium iodide?
The InChIKey is VFQHEQQRHQPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.HI/c1-4-2-3-5;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 2-hydroxyethyl(methyl)azanium iodide?
2-hydroxyethyl(methyl)azanium iodide has a molecular weight of 203.02 g/mol, XLogP of -4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(methyl)azanium iodide is sourced from PubChem (CID 87299375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).