2-(propylamino)pent-4-enal

C8H15NO — CID 20607826

IUPAC2-(propylamino)pent-4-enal
SMILESC=CCC(C=O)NCCC
InChIInChI=1S/C8H15NO/c1-3-5-8(7-10)9-6-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyVCDRJZKWLAOEOP-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds6

About 2-(propylamino)pent-4-enal

2-(propylamino)pent-4-enal (PubChem CID 20607826) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(propylamino)pent-4-enal.

Molecular Properties

Compound Name2-(propylamino)pent-4-enal
PubChem CID20607826
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(propylamino)pent-4-enal
SMILESC=CCC(C=O)NCCC
InChIInChI=1S/C8H15NO/c1-3-5-8(7-10)9-6-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyVCDRJZKWLAOEOP-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)pent-4-enal?
The IUPAC name of 2-(propylamino)pent-4-enal (CID 20607826) is 2-(propylamino)pent-4-enal.
What is the SMILES notation for 2-(propylamino)pent-4-enal?
The canonical SMILES for 2-(propylamino)pent-4-enal is C=CCC(C=O)NCCC.
What is the InChIKey of 2-(propylamino)pent-4-enal?
The InChIKey is VCDRJZKWLAOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(7-10)9-6-4-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 2-(propylamino)pent-4-enal?
2-(propylamino)pent-4-enal has a molecular weight of 141.21 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)pent-4-enal is sourced from PubChem (CID 20607826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).