3-(dibutylamino)-2-hydroxypropanal;hydrochloride

C11H24ClNO2 — CID 54611792

IUPAC3-(dibutylamino)-2-hydroxypropanal;hydrochloride
SMILESCCCCN(CCCC)CC(O)C=O.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-3-5-7-12(8-6-4-2)9-11(14)10-13;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyOZNOJGLVFLFKGC-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.87
Rot. Bonds9

About 3-(dibutylamino)-2-hydroxypropanal;hydrochloride

3-(dibutylamino)-2-hydroxypropanal;hydrochloride (PubChem CID 54611792) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(dibutylamino)-2-hydroxypropanal;hydrochloride.

Molecular Properties

Compound Name3-(dibutylamino)-2-hydroxypropanal;hydrochloride
PubChem CID54611792
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name3-(dibutylamino)-2-hydroxypropanal;hydrochloride
SMILESCCCCN(CCCC)CC(O)C=O.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-3-5-7-12(8-6-4-2)9-11(14)10-13;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyOZNOJGLVFLFKGC-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.87
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-(dibutylamino)-2-hydroxypropanal;hydrochloride?
The IUPAC name of 3-(dibutylamino)-2-hydroxypropanal;hydrochloride (CID 54611792) is 3-(dibutylamino)-2-hydroxypropanal;hydrochloride.
What is the SMILES notation for 3-(dibutylamino)-2-hydroxypropanal;hydrochloride?
The canonical SMILES for 3-(dibutylamino)-2-hydroxypropanal;hydrochloride is CCCCN(CCCC)CC(O)C=O.Cl.
What is the InChIKey of 3-(dibutylamino)-2-hydroxypropanal;hydrochloride?
The InChIKey is OZNOJGLVFLFKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-3-5-7-12(8-6-4-2)9-11(14)10-13;/h10-11,14H,3-9H2,1-2H3;1H.
What are the key properties of 3-(dibutylamino)-2-hydroxypropanal;hydrochloride?
3-(dibutylamino)-2-hydroxypropanal;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-2-hydroxypropanal;hydrochloride is sourced from PubChem (CID 54611792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).