3-(dibutylamino)propanal

C11H23NO — CID 22611152

IUPAC3-(dibutylamino)propanal
SMILESCCCCN(CCC=O)CCCC
InChIInChI=1S/C11H23NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h11H,3-10H2,1-2H3
InChIKeyKMHGAGCNZILFRD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds9

About 3-(dibutylamino)propanal

3-(dibutylamino)propanal (PubChem CID 22611152) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(dibutylamino)propanal.

Molecular Properties

Compound Name3-(dibutylamino)propanal
PubChem CID22611152
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(dibutylamino)propanal
SMILESCCCCN(CCC=O)CCCC
InChIInChI=1S/C11H23NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h11H,3-10H2,1-2H3
InChIKeyKMHGAGCNZILFRD-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)propanal?
The IUPAC name of 3-(dibutylamino)propanal (CID 22611152) is 3-(dibutylamino)propanal.
What is the SMILES notation for 3-(dibutylamino)propanal?
The canonical SMILES for 3-(dibutylamino)propanal is CCCCN(CCC=O)CCCC.
What is the InChIKey of 3-(dibutylamino)propanal?
The InChIKey is KMHGAGCNZILFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h11H,3-10H2,1-2H3.
What are the key properties of 3-(dibutylamino)propanal?
3-(dibutylamino)propanal has a molecular weight of 185.31 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propanal is sourced from PubChem (CID 22611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).