2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol

C8H19NO4 — CID 66222761

IUPAC2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
SMILESCOC(CN(CCO)CCO)OC
InChIInChI=1S/C8H19NO4/c1-12-8(13-2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3
InChIKeyDEUPNPAHRHCBGY-UHFFFAOYSA-N
MW193.24 g/mol
LogP-1.11
Rot. Bonds8

About 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol

2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 66222761) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
PubChem CID66222761
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
SMILESCOC(CN(CCO)CCO)OC
InChIInChI=1S/C8H19NO4/c1-12-8(13-2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3
InChIKeyDEUPNPAHRHCBGY-UHFFFAOYSA-N
XLogP-1.11
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol (CID 66222761) is 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol is COC(CN(CCO)CCO)OC.
What is the InChIKey of 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is DEUPNPAHRHCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-12-8(13-2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol?
2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 193.24 g/mol, XLogP of -1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 66222761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).