1-(3-aminopropoxy)ethanol

C5H13NO2 — CID 19915425

IUPAC1-(3-aminopropoxy)ethanol
SMILESCC(O)OCCCN
InChIInChI=1S/C5H13NO2/c1-5(7)8-4-2-3-6/h5,7H,2-4,6H2,1H3
InChIKeyMRGLOEHAJRFNTE-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.31
Rot. Bonds4

About 1-(3-aminopropoxy)ethanol

1-(3-aminopropoxy)ethanol (PubChem CID 19915425) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-(3-aminopropoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminopropoxy)ethanol
PubChem CID19915425
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-(3-aminopropoxy)ethanol
SMILESCC(O)OCCCN
InChIInChI=1S/C5H13NO2/c1-5(7)8-4-2-3-6/h5,7H,2-4,6H2,1H3
InChIKeyMRGLOEHAJRFNTE-UHFFFAOYSA-N
XLogP-0.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(3-aminopropoxy)ethanol?
The IUPAC name of 1-(3-aminopropoxy)ethanol (CID 19915425) is 1-(3-aminopropoxy)ethanol.
What is the SMILES notation for 1-(3-aminopropoxy)ethanol?
The canonical SMILES for 1-(3-aminopropoxy)ethanol is CC(O)OCCCN.
What is the InChIKey of 1-(3-aminopropoxy)ethanol?
The InChIKey is MRGLOEHAJRFNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-5(7)8-4-2-3-6/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-(3-aminopropoxy)ethanol?
1-(3-aminopropoxy)ethanol has a molecular weight of 119.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropoxy)ethanol is sourced from PubChem (CID 19915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).