2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol

C9H22N2O4 — CID 15294382

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CN(CCO)CCO
InChIInChI=1S/C9H22N2O4/c12-5-1-10(2-6-13)9-11(3-7-14)4-8-15/h12-15H,1-9H2
InChIKeyAGDFIEFNOPOTPA-UHFFFAOYSA-N
MW222.28 g/mol
LogP-2.48
Rot. Bonds10

About 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol

2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 15294382) has the molecular formula C9H22N2O4 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID15294382
Molecular FormulaC9H22N2O4
Molecular Weight222.28 g/mol
Exact Mass222.16
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CN(CCO)CCO
InChIInChI=1S/C9H22N2O4/c12-5-1-10(2-6-13)9-11(3-7-14)4-8-15/h12-15H,1-9H2
InChIKeyAGDFIEFNOPOTPA-UHFFFAOYSA-N
XLogP-2.48
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol (CID 15294382) is 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CN(CCO)CCO.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is AGDFIEFNOPOTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4/c12-5-1-10(2-6-13)9-11(3-7-14)4-8-15/h12-15H,1-9H2.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of -2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 15294382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).