3-(3-hydroxypropylamino)propanal

C6H13NO2 — CID 57079531

IUPAC3-(3-hydroxypropylamino)propanal
SMILESO=CCCNCCCO
InChIInChI=1S/C6H13NO2/c8-5-1-3-7-4-2-6-9/h5,7,9H,1-4,6H2
InChIKeyLLOZRVGTDDAAGM-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.45
Rot. Bonds6

About 3-(3-hydroxypropylamino)propanal

3-(3-hydroxypropylamino)propanal (PubChem CID 57079531) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)propanal.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)propanal
PubChem CID57079531
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(3-hydroxypropylamino)propanal
SMILESO=CCCNCCCO
InChIInChI=1S/C6H13NO2/c8-5-1-3-7-4-2-6-9/h5,7,9H,1-4,6H2
InChIKeyLLOZRVGTDDAAGM-UHFFFAOYSA-N
XLogP-0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylamino)propanal?
The IUPAC name of 3-(3-hydroxypropylamino)propanal (CID 57079531) is 3-(3-hydroxypropylamino)propanal.
What is the SMILES notation for 3-(3-hydroxypropylamino)propanal?
The canonical SMILES for 3-(3-hydroxypropylamino)propanal is O=CCCNCCCO.
What is the InChIKey of 3-(3-hydroxypropylamino)propanal?
The InChIKey is LLOZRVGTDDAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-5-1-3-7-4-2-6-9/h5,7,9H,1-4,6H2.
What are the key properties of 3-(3-hydroxypropylamino)propanal?
3-(3-hydroxypropylamino)propanal has a molecular weight of 131.18 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)propanal is sourced from PubChem (CID 57079531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).