3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol

C8H19NO3 — CID 106309635

IUPAC3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
SMILESOCCCNCCCOCCO
InChIInChI=1S/C8H19NO3/c10-5-1-3-9-4-2-7-12-8-6-11/h9-11H,1-8H2
InChIKeyJWBPCQGTXJGPAO-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.64
Rot. Bonds9

About 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol

3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol (PubChem CID 106309635) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
PubChem CID106309635
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
SMILESOCCCNCCCOCCO
InChIInChI=1S/C8H19NO3/c10-5-1-3-9-4-2-7-12-8-6-11/h9-11H,1-8H2
InChIKeyJWBPCQGTXJGPAO-UHFFFAOYSA-N
XLogP-0.64
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
3-(3-aminooxypropylamino)propan-1-ol
CID 88883874
2-[2-(3-fluoropropylamino)ethoxy]ethanol
CID 81106075
3-[3-(but-3-ynylamino)propoxy]propan-1-ol
CID 156883208
2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
2-[3-(cycloheptylmethylamino)propoxy]ethanol
CID 103992574

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol?
The IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol (CID 106309635) is 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol?
The canonical SMILES for 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol is OCCCNCCCOCCO.
What is the InChIKey of 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol?
The InChIKey is JWBPCQGTXJGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c10-5-1-3-9-4-2-7-12-8-6-11/h9-11H,1-8H2.
What are the key properties of 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol?
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol has a molecular weight of 177.24 g/mol, XLogP of -0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol is sourced from PubChem (CID 106309635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).