1-[2-(diethylamino)ethoxy]propan-2-ol

C9H21NO2 — CID 15233137

IUPAC1-[2-(diethylamino)ethoxy]propan-2-ol
SMILESCCN(CC)CCOCC(C)O
InChIInChI=1S/C9H21NO2/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3
InChIKeyGIQSRKQCTYZYFG-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.73
Rot. Bonds7

About 1-[2-(diethylamino)ethoxy]propan-2-ol

1-[2-(diethylamino)ethoxy]propan-2-ol (PubChem CID 15233137) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(diethylamino)ethoxy]propan-2-ol
PubChem CID15233137
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[2-(diethylamino)ethoxy]propan-2-ol
SMILESCCN(CC)CCOCC(C)O
InChIInChI=1S/C9H21NO2/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3
InChIKeyGIQSRKQCTYZYFG-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(diethylamino)ethoxy]propan-2-ol (CID 15233137) is 1-[2-(diethylamino)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(diethylamino)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(diethylamino)ethoxy]propan-2-ol is CCN(CC)CCOCC(C)O.
What is the InChIKey of 1-[2-(diethylamino)ethoxy]propan-2-ol?
The InChIKey is GIQSRKQCTYZYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-10(5-2)6-7-12-8-9(3)11/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethoxy]propan-2-ol?
1-[2-(diethylamino)ethoxy]propan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethoxy]propan-2-ol is sourced from PubChem (CID 15233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).