3-[bis(3-oxopropyl)amino]propanal

C9H15NO3 — CID 89031167

IUPAC3-[bis(3-oxopropyl)amino]propanal
SMILESO=CCCN(CCC=O)CCC=O
InChIInChI=1S/C9H15NO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h7-9H,1-6H2
InChIKeyJFPZHFQCAOEPIU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds9

About 3-[bis(3-oxopropyl)amino]propanal

3-[bis(3-oxopropyl)amino]propanal (PubChem CID 89031167) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[bis(3-oxopropyl)amino]propanal.

Molecular Properties

Compound Name3-[bis(3-oxopropyl)amino]propanal
PubChem CID89031167
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[bis(3-oxopropyl)amino]propanal
SMILESO=CCCN(CCC=O)CCC=O
InChIInChI=1S/C9H15NO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h7-9H,1-6H2
InChIKeyJFPZHFQCAOEPIU-UHFFFAOYSA-N
XLogP0.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-aminoethyl(3-aminopropyl)amino]propanal
CID 89024868
3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
CID 139446928
butanal;N,N-dibutylbutan-1-amine
CID 174791584
3-[3,3-dimethylbutyl(4-hydroxybutyl)amino]propanal
CID 144617029
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
5-(didecylamino)pentanal
CID 162037939
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
3-[methyl(2-methylpropyl)amino]propanal
CID 63039776
3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
CID 166864860
4-bromobutanal
CID 3016005
3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
CID 148765600
3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal
CID 89024862

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-oxopropyl)amino]propanal?
The IUPAC name of 3-[bis(3-oxopropyl)amino]propanal (CID 89031167) is 3-[bis(3-oxopropyl)amino]propanal.
What is the SMILES notation for 3-[bis(3-oxopropyl)amino]propanal?
The canonical SMILES for 3-[bis(3-oxopropyl)amino]propanal is O=CCCN(CCC=O)CCC=O.
What is the InChIKey of 3-[bis(3-oxopropyl)amino]propanal?
The InChIKey is JFPZHFQCAOEPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h7-9H,1-6H2.
What are the key properties of 3-[bis(3-oxopropyl)amino]propanal?
3-[bis(3-oxopropyl)amino]propanal has a molecular weight of 185.22 g/mol, XLogP of 0.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-oxopropyl)amino]propanal is sourced from PubChem (CID 89031167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).