2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol

C8H19NO6 — CID 54143960

IUPAC2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESOCCOCC(O)NC(O)COCCO
InChIInChI=1S/C8H19NO6/c10-1-3-14-5-7(12)9-8(13)6-15-4-2-11/h7-13H,1-6H2
InChIKeyODAKLIGQMPFIBT-UHFFFAOYSA-N
MW225.24 g/mol
LogP-2.77
Rot. Bonds10

About 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol

2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol (PubChem CID 54143960) has the molecular formula C8H19NO6 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
PubChem CID54143960
Molecular FormulaC8H19NO6
Molecular Weight225.24 g/mol
Exact Mass225.12
IUPAC Name2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESOCCOCC(O)NC(O)COCCO
InChIInChI=1S/C8H19NO6/c10-1-3-14-5-7(12)9-8(13)6-15-4-2-11/h7-13H,1-6H2
InChIKeyODAKLIGQMPFIBT-UHFFFAOYSA-N
XLogP-2.77
TPSA111.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-2.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
CID 59229184
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
CID 57197052
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
CID 20813416
1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 162513752
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
CID 18784446

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol (CID 54143960) is 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol is OCCOCC(O)NC(O)COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The InChIKey is ODAKLIGQMPFIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6/c10-1-3-14-5-7(12)9-8(13)6-15-4-2-11/h7-13H,1-6H2.
What are the key properties of 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol?
2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol has a molecular weight of 225.24 g/mol, XLogP of -2.77, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 54143960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).