3-[butyl(2-hydroxyethyl)amino]propanal

C9H19NO2 — CID 63039413

IUPAC3-[butyl(2-hydroxyethyl)amino]propanal
SMILESCCCCN(CCO)CCC=O
InChIInChI=1S/C9H19NO2/c1-2-3-5-10(7-9-12)6-4-8-11/h8,12H,2-7,9H2,1H3
InChIKeyDRFWGUBZXCPDLO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds8

About 3-[butyl(2-hydroxyethyl)amino]propanal

3-[butyl(2-hydroxyethyl)amino]propanal (PubChem CID 63039413) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]propanal.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]propanal
PubChem CID63039413
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[butyl(2-hydroxyethyl)amino]propanal
SMILESCCCCN(CCO)CCC=O
InChIInChI=1S/C9H19NO2/c1-2-3-5-10(7-9-12)6-4-8-11/h8,12H,2-7,9H2,1H3
InChIKeyDRFWGUBZXCPDLO-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]propanal?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]propanal (CID 63039413) is 3-[butyl(2-hydroxyethyl)amino]propanal.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]propanal?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]propanal is CCCCN(CCO)CCC=O.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]propanal?
The InChIKey is DRFWGUBZXCPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-5-10(7-9-12)6-4-8-11/h8,12H,2-7,9H2,1H3.
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]propanal?
3-[butyl(2-hydroxyethyl)amino]propanal has a molecular weight of 173.26 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]propanal is sourced from PubChem (CID 63039413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).