3-(propylamino)propanal

C6H13NO — CID 21400087

IUPAC3-(propylamino)propanal
SMILESCCCNCCC=O
InChIInChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h6-7H,2-5H2,1H3
InChIKeyRWWDBUYAKHYTLT-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds5

About 3-(propylamino)propanal

3-(propylamino)propanal (PubChem CID 21400087) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(propylamino)propanal.

Molecular Properties

Compound Name3-(propylamino)propanal
PubChem CID21400087
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(propylamino)propanal
SMILESCCCNCCC=O
InChIInChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h6-7H,2-5H2,1H3
InChIKeyRWWDBUYAKHYTLT-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamidopropanal
CID 5460495
4-Methylammoniobutanal
CID 20653072
4-(Methylamino)butanal
CID 443042
(4-Ammoniobutyl)(3-oxopropyl)azanium
CID 157049272
N'-(4-aminobutyl)-3-aminopropionaldehyde
CID 145925
Propanal, 3-(ethylamino)-2,2-dimethyl-
CID 11586309
3-(Methylamino)-2,2-dimethylpropanal
CID 15555432
3-(Methylamino)propanal
CID 21254778
2-(Propylamino)propanal
CID 23405034
Bis-oxopropylamine
CID 54044358
3-Fluoro-3-(methylamino)propanal
CID 152844685
2-Fluoro-3-(propylamino)butanal
CID 164054090

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propanal?
The IUPAC name of 3-(propylamino)propanal (CID 21400087) is 3-(propylamino)propanal.
What is the SMILES notation for 3-(propylamino)propanal?
The canonical SMILES for 3-(propylamino)propanal is CCCNCCC=O.
What is the InChIKey of 3-(propylamino)propanal?
The InChIKey is RWWDBUYAKHYTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-(propylamino)propanal?
3-(propylamino)propanal has a molecular weight of 115.18 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)propanal is sourced from PubChem (CID 21400087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).