3-[3-(ethylamino)propoxy]propan-1-ol

C8H19NO2 — CID 20655074

IUPAC3-[3-(ethylamino)propoxy]propan-1-ol
SMILESCCNCCCOCCCO
InChIInChI=1S/C8H19NO2/c1-2-9-5-3-7-11-8-4-6-10/h9-10H,2-8H2,1H3
InChIKeyOIGFRJXBZKEBAS-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.38
Rot. Bonds8

About 3-[3-(ethylamino)propoxy]propan-1-ol

3-[3-(ethylamino)propoxy]propan-1-ol (PubChem CID 20655074) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 3-[3-(ethylamino)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(ethylamino)propoxy]propan-1-ol
PubChem CID20655074
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name3-[3-(ethylamino)propoxy]propan-1-ol
SMILESCCNCCCOCCCO
InChIInChI=1S/C8H19NO2/c1-2-9-5-3-7-11-8-4-6-10/h9-10H,2-8H2,1H3
InChIKeyOIGFRJXBZKEBAS-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 3-[3-(ethylamino)propoxy]propan-1-ol?
The IUPAC name of 3-[3-(ethylamino)propoxy]propan-1-ol (CID 20655074) is 3-[3-(ethylamino)propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(ethylamino)propoxy]propan-1-ol?
The canonical SMILES for 3-[3-(ethylamino)propoxy]propan-1-ol is CCNCCCOCCCO.
What is the InChIKey of 3-[3-(ethylamino)propoxy]propan-1-ol?
The InChIKey is OIGFRJXBZKEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-2-9-5-3-7-11-8-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-[3-(ethylamino)propoxy]propan-1-ol?
3-[3-(ethylamino)propoxy]propan-1-ol has a molecular weight of 161.24 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propoxy]propan-1-ol is sourced from PubChem (CID 20655074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).