2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol

C6H14INO2 — CID 57225971

IUPAC2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol
SMILESOCCN(CCO)CCI
InChIInChI=1S/C6H14INO2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-6H2
InChIKeyJSTVWKDUHHDVJB-UHFFFAOYSA-N
MW259.09 g/mol
LogP-0.29
Rot. Bonds6

About 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol

2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol (PubChem CID 57225971) has the molecular formula C6H14INO2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol
PubChem CID57225971
Molecular FormulaC6H14INO2
Molecular Weight259.09 g/mol
Exact Mass259.01
IUPAC Name2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol
SMILESOCCN(CCO)CCI
InChIInChI=1S/C6H14INO2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-6H2
InChIKeyJSTVWKDUHHDVJB-UHFFFAOYSA-N
XLogP-0.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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;iron(3+)
CID 22634755
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
N,N,N',N'-tetrakis[2-[bis(2-iodoethyl)amino]ethyl]butane-1,4-diamine
CID 58300626

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol (CID 57225971) is 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol is OCCN(CCO)CCI.
What is the InChIKey of 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol?
The InChIKey is JSTVWKDUHHDVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14INO2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol?
2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol has a molecular weight of 259.09 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol is sourced from PubChem (CID 57225971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).