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

C10H16N2O — CID 62880509

IUPAC1-[3-(ethylamino)propyl]pyridin-4-one
SMILESCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O/c1-2-11-6-3-7-12-8-4-10(13)5-9-12/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyMKTYFQCEVYDOBF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.85
Rot. Bonds5

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

1-[3-(ethylamino)propyl]pyridin-4-one (PubChem CID 62880509) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]pyridin-4-one
PubChem CID62880509
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[3-(ethylamino)propyl]pyridin-4-one
SMILESCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O/c1-2-11-6-3-7-12-8-4-10(13)5-9-12/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyMKTYFQCEVYDOBF-UHFFFAOYSA-N
XLogP0.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.85
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-(ethylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[3-(ethylamino)propyl]pyridin-4-one (CID 62880509) is 1-[3-(ethylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(ethylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[3-(ethylamino)propyl]pyridin-4-one is CCNCCCn1ccc(=O)cc1.
What is the InChIKey of 1-[3-(ethylamino)propyl]pyridin-4-one?
The InChIKey is MKTYFQCEVYDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-11-6-3-7-12-8-4-10(13)5-9-12/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]pyridin-4-one?
1-[3-(ethylamino)propyl]pyridin-4-one has a molecular weight of 180.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62880509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).