2-(2,2-diethoxyethylamino)ethanol

C8H19NO3 — CID 54225364

IUPAC2-(2,2-diethoxyethylamino)ethanol
SMILESCCOC(CNCCO)OCC
InChIInChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-9-5-6-10/h8-10H,3-7H2,1-2H3
InChIKeyQFLUBGIBHYVAEP-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.03
Rot. Bonds8

About 2-(2,2-diethoxyethylamino)ethanol

2-(2,2-diethoxyethylamino)ethanol (PubChem CID 54225364) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2,2-diethoxyethylamino)ethanol
PubChem CID54225364
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-(2,2-diethoxyethylamino)ethanol
SMILESCCOC(CNCCO)OCC
InChIInChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-9-5-6-10/h8-10H,3-7H2,1-2H3
InChIKeyQFLUBGIBHYVAEP-UHFFFAOYSA-N
XLogP-0.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylamino)ethanol?
The IUPAC name of 2-(2,2-diethoxyethylamino)ethanol (CID 54225364) is 2-(2,2-diethoxyethylamino)ethanol.
What is the SMILES notation for 2-(2,2-diethoxyethylamino)ethanol?
The canonical SMILES for 2-(2,2-diethoxyethylamino)ethanol is CCOC(CNCCO)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylamino)ethanol?
The InChIKey is QFLUBGIBHYVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-9-5-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethylamino)ethanol?
2-(2,2-diethoxyethylamino)ethanol has a molecular weight of 177.24 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylamino)ethanol is sourced from PubChem (CID 54225364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).