1-ethoxypropan-1-ol;N-ethylethanamine

C9H23NO2 — CID 18935970

IUPAC1-ethoxypropan-1-ol;N-ethylethanamine
SMILESCCNCC.CCOC(O)CC
InChIInChI=1S/C5H12O2.C4H11N/c1-3-5(6)7-4-2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyANEONOFBZQGWGD-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.37
Rot. Bonds5

About 1-ethoxypropan-1-ol;N-ethylethanamine

1-ethoxypropan-1-ol;N-ethylethanamine (PubChem CID 18935970) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-ethoxypropan-1-ol;N-ethylethanamine.

Molecular Properties

Compound Name1-ethoxypropan-1-ol;N-ethylethanamine
PubChem CID18935970
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Name1-ethoxypropan-1-ol;N-ethylethanamine
SMILESCCNCC.CCOC(O)CC
InChIInChI=1S/C5H12O2.C4H11N/c1-3-5(6)7-4-2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyANEONOFBZQGWGD-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethoxypropan-1-ol;N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-1-ol;N-ethylethanamine?
The IUPAC name of 1-ethoxypropan-1-ol;N-ethylethanamine (CID 18935970) is 1-ethoxypropan-1-ol;N-ethylethanamine.
What is the SMILES notation for 1-ethoxypropan-1-ol;N-ethylethanamine?
The canonical SMILES for 1-ethoxypropan-1-ol;N-ethylethanamine is CCNCC.CCOC(O)CC.
What is the InChIKey of 1-ethoxypropan-1-ol;N-ethylethanamine?
The InChIKey is ANEONOFBZQGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H11N/c1-3-5(6)7-4-2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-1-ol;N-ethylethanamine?
1-ethoxypropan-1-ol;N-ethylethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-1-ol;N-ethylethanamine is sourced from PubChem (CID 18935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).