tris(2-hydroxyethyl)azanium iodide

C6H16INO3 — CID 87105413

IUPACtris(2-hydroxyethyl)azanium iodide
SMILESOCC[NH+](CCO)CCO.[I-]
InChIInChI=1S/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
InChIKeyAHJXIGQHVVYEGR-UHFFFAOYSA-N
MW277.10 g/mol
LogP-6.15
Rot. Bonds6

About tris(2-hydroxyethyl)azanium iodide

tris(2-hydroxyethyl)azanium iodide (PubChem CID 87105413) has the molecular formula C6H16INO3 and a molecular weight of 277.10 g/mol. Its IUPAC name is tris(2-hydroxyethyl)azanium iodide.

Molecular Properties

Compound Nametris(2-hydroxyethyl)azanium iodide
PubChem CID87105413
Molecular FormulaC6H16INO3
Molecular Weight277.10 g/mol
Exact Mass277.02
IUPAC Nametris(2-hydroxyethyl)azanium iodide
SMILESOCC[NH+](CCO)CCO.[I-]
InChIInChI=1S/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
InChIKeyAHJXIGQHVVYEGR-UHFFFAOYSA-N
XLogP-6.15
TPSA65.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 5-6.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris(2-hydroxyethyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)azanium iodide?
The IUPAC name of tris(2-hydroxyethyl)azanium iodide (CID 87105413) is tris(2-hydroxyethyl)azanium iodide.
What is the SMILES notation for tris(2-hydroxyethyl)azanium iodide?
The canonical SMILES for tris(2-hydroxyethyl)azanium iodide is OCC[NH+](CCO)CCO.[I-].
What is the InChIKey of tris(2-hydroxyethyl)azanium iodide?
The InChIKey is AHJXIGQHVVYEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H.
What are the key properties of tris(2-hydroxyethyl)azanium iodide?
tris(2-hydroxyethyl)azanium iodide has a molecular weight of 277.10 g/mol, XLogP of -6.15, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)azanium iodide is sourced from PubChem (CID 87105413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).