2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol

C9H21N2O4- — CID 88646865

IUPAC2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol
SMILES[O-]N(CCO)CCCN(CCO)CCO
InChIInChI=1S/C9H21N2O4/c12-7-4-10(5-8-13)2-1-3-11(15)6-9-14/h12-14H,1-9H2/q-1
InChIKeyQWGLCJJRBAKBJE-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.54
Rot. Bonds10

About 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol

2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol (PubChem CID 88646865) has the molecular formula C9H21N2O4- and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol
PubChem CID88646865
Molecular FormulaC9H21N2O4-
Molecular Weight221.28 g/mol
Exact Mass221.15
IUPAC Name2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol
SMILES[O-]N(CCO)CCCN(CCO)CCO
InChIInChI=1S/C9H21N2O4/c12-7-4-10(5-8-13)2-1-3-11(15)6-9-14/h12-14H,1-9H2/q-1
InChIKeyQWGLCJJRBAKBJE-UHFFFAOYSA-N
XLogP-1.54
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol (CID 88646865) is 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol is [O-]N(CCO)CCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol?
The InChIKey is QWGLCJJRBAKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O4/c12-7-4-10(5-8-13)2-1-3-11(15)6-9-14/h12-14H,1-9H2/q-1.
What are the key properties of 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol has a molecular weight of 221.28 g/mol, XLogP of -1.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol is sourced from PubChem (CID 88646865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).