3-(dipropylamino)propanal

C9H19NO — CID 22611150

IUPAC3-(dipropylamino)propanal
SMILESCCCN(CCC)CCC=O
InChIInChI=1S/C9H19NO/c1-3-6-10(7-4-2)8-5-9-11/h9H,3-8H2,1-2H3
InChIKeySMTBMBIDIZOEIX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds7

About 3-(dipropylamino)propanal

3-(dipropylamino)propanal (PubChem CID 22611150) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(dipropylamino)propanal.

Molecular Properties

Compound Name3-(dipropylamino)propanal
PubChem CID22611150
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(dipropylamino)propanal
SMILESCCCN(CCC)CCC=O
InChIInChI=1S/C9H19NO/c1-3-6-10(7-4-2)8-5-9-11/h9H,3-8H2,1-2H3
InChIKeySMTBMBIDIZOEIX-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
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
3-(Dimethylamino)-2-methylpropanal
CID 20695664
3-(Dimethylamino)propanal hydrochloride
CID 141342787
3-(Dimethylamino)propanal
CID 546946
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
2,2'-[(Methylazanediyl)bis(methylene)]bis(2-methylpropanal)
CID 301086
3-Diethylaminopropan-1-one hydrochloride
CID 145713935
3-[Propyl(2,2,2-trifluoroethyl)amino]propanal
CID 63041669
3-[Di(propan-2-yl)amino]butanal
CID 13460903

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)propanal?
The IUPAC name of 3-(dipropylamino)propanal (CID 22611150) is 3-(dipropylamino)propanal.
What is the SMILES notation for 3-(dipropylamino)propanal?
The canonical SMILES for 3-(dipropylamino)propanal is CCCN(CCC)CCC=O.
What is the InChIKey of 3-(dipropylamino)propanal?
The InChIKey is SMTBMBIDIZOEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-10(7-4-2)8-5-9-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-(dipropylamino)propanal?
3-(dipropylamino)propanal has a molecular weight of 157.26 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propanal is sourced from PubChem (CID 22611150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).