2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)

C6H15FeNO3+3 — CID 22634755

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
SMILESOCCN(CCO)CCO.[Fe+3]
InChIInChI=1S/C6H15NO3.Fe/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+3
InChIKeyCYDNINQUQQODFH-UHFFFAOYSA-N
MW205.03 g/mol
LogP-1.74
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)

2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) (PubChem CID 22634755) has the molecular formula C6H15FeNO3+3 and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+).

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
PubChem CID22634755
Molecular FormulaC6H15FeNO3+3
Molecular Weight205.03 g/mol
Exact Mass205.04
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
SMILESOCCN(CCO)CCO.[Fe+3]
InChIInChI=1S/C6H15NO3.Fe/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+3
InChIKeyCYDNINQUQQODFH-UHFFFAOYSA-N
XLogP-1.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) with MolForge

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

Launch Full Analysis

Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) (CID 22634755) is 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+).
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) is OCCN(CCO)CCO.[Fe+3].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)?
The InChIKey is CYDNINQUQQODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.Fe/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)?
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) has a molecular weight of 205.03 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+) is sourced from PubChem (CID 22634755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).