3-(dimethylamino)propanal

C5H11NO — CID 546946

IUPAC3-(dimethylamino)propanal
SMILESCN(C)CCC=O
InChIInChI=1S/C5H11NO/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3
InChIKeyGSZKLTJTSQMAOD-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.14
Rot. Bonds3

About 3-(dimethylamino)propanal

3-(dimethylamino)propanal (PubChem CID 546946) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-(dimethylamino)propanal.

Molecular Properties

Compound Name3-(dimethylamino)propanal
PubChem CID546946
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-(dimethylamino)propanal
SMILESCN(C)CCC=O
InChIInChI=1S/C5H11NO/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3
InChIKeyGSZKLTJTSQMAOD-UHFFFAOYSA-N
XLogP0.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-3-(dimethylamino)propionaldehyde
CID 84921
Diethylaminopivalaldehyde
CID 80653
N,N,N-Trimethyl, 2-formyl-2-methylpropylammonium iodide (Propanal, 2,2-dimethyl-3-(N,N,N-trimethylammonio-), iodide)-
CID 171384747
3-(Diethylamino)propanal
CID 429319
4-(Dimethylamino)butanal
CID 18398252
3-(Dimethylamino)-2-methylpropanal
CID 20695664
3-(Dimethylamino)propanal hydrochloride
CID 141342787
3-[Methyl(2,2,2-trifluoroethyl)amino]propanal
CID 63039019
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
3-Diethylaminopropan-1-one hydrochloride
CID 145713935
3-[Ethyl(2,2,2-trifluoroethyl)amino]propanal
CID 63041477
3-[Methyl(3,3,3-trifluoropropyl)amino]propanal
CID 65537872

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanal?
The IUPAC name of 3-(dimethylamino)propanal (CID 546946) is 3-(dimethylamino)propanal.
What is the SMILES notation for 3-(dimethylamino)propanal?
The canonical SMILES for 3-(dimethylamino)propanal is CN(C)CCC=O.
What is the InChIKey of 3-(dimethylamino)propanal?
The InChIKey is GSZKLTJTSQMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3.
What are the key properties of 3-(dimethylamino)propanal?
3-(dimethylamino)propanal has a molecular weight of 101.15 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanal is sourced from PubChem (CID 546946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).