1-[3-(propylamino)propyl]pyridin-4-one

C11H18N2O — CID 62880508

IUPAC1-[3-(propylamino)propyl]pyridin-4-one
SMILESCCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O/c1-2-6-12-7-3-8-13-9-4-11(14)5-10-13/h4-5,9-10,12H,2-3,6-8H2,1H3
InChIKeyZKAPWVATWHSBLO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.24
Rot. Bonds6

About 1-[3-(propylamino)propyl]pyridin-4-one

1-[3-(propylamino)propyl]pyridin-4-one (PubChem CID 62880508) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[3-(propylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(propylamino)propyl]pyridin-4-one
PubChem CID62880508
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[3-(propylamino)propyl]pyridin-4-one
SMILESCCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O/c1-2-6-12-7-3-8-13-9-4-11(14)5-10-13/h4-5,9-10,12H,2-3,6-8H2,1H3
InChIKeyZKAPWVATWHSBLO-UHFFFAOYSA-N
XLogP1.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[3-(propylamino)propyl]pyridin-4-one (CID 62880508) is 1-[3-(propylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(propylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[3-(propylamino)propyl]pyridin-4-one is CCCNCCCn1ccc(=O)cc1.
What is the InChIKey of 1-[3-(propylamino)propyl]pyridin-4-one?
The InChIKey is ZKAPWVATWHSBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-6-12-7-3-8-13-9-4-11(14)5-10-13/h4-5,9-10,12H,2-3,6-8H2,1H3.
What are the key properties of 1-[3-(propylamino)propyl]pyridin-4-one?
1-[3-(propylamino)propyl]pyridin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62880508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).