1-(1-ethoxypropylamino)ethanol

C7H17NO2 — CID 21324791

IUPAC1-(1-ethoxypropylamino)ethanol
SMILESCCOC(CC)NC(C)O
InChIInChI=1S/C7H17NO2/c1-4-7(10-5-2)8-6(3)9/h6-9H,4-5H2,1-3H3
InChIKeyJHDJDMOHCHRTLP-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.69
Rot. Bonds5

About 1-(1-ethoxypropylamino)ethanol

1-(1-ethoxypropylamino)ethanol (PubChem CID 21324791) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(1-ethoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(1-ethoxypropylamino)ethanol
PubChem CID21324791
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(1-ethoxypropylamino)ethanol
SMILESCCOC(CC)NC(C)O
InChIInChI=1S/C7H17NO2/c1-4-7(10-5-2)8-6(3)9/h6-9H,4-5H2,1-3H3
InChIKeyJHDJDMOHCHRTLP-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(1-ethoxypropylamino)ethanol?
The IUPAC name of 1-(1-ethoxypropylamino)ethanol (CID 21324791) is 1-(1-ethoxypropylamino)ethanol.
What is the SMILES notation for 1-(1-ethoxypropylamino)ethanol?
The canonical SMILES for 1-(1-ethoxypropylamino)ethanol is CCOC(CC)NC(C)O.
What is the InChIKey of 1-(1-ethoxypropylamino)ethanol?
The InChIKey is JHDJDMOHCHRTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-7(10-5-2)8-6(3)9/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethoxypropylamino)ethanol?
1-(1-ethoxypropylamino)ethanol has a molecular weight of 147.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropylamino)ethanol is sourced from PubChem (CID 21324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).