1-[2-(octylamino)ethyl]pyridin-2-one

C15H26N2O — CID 82896657

IUPAC1-[2-(octylamino)ethyl]pyridin-2-one
SMILESCCCCCCCCNCCn1ccccc1=O
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-8-11-16-12-14-17-13-9-7-10-15(17)18/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3
InChIKeySJKLDGKROJBVJG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds10

About 1-[2-(octylamino)ethyl]pyridin-2-one

1-[2-(octylamino)ethyl]pyridin-2-one (PubChem CID 82896657) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(octylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(octylamino)ethyl]pyridin-2-one
PubChem CID82896657
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-(octylamino)ethyl]pyridin-2-one
SMILESCCCCCCCCNCCn1ccccc1=O
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-8-11-16-12-14-17-13-9-7-10-15(17)18/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3
InChIKeySJKLDGKROJBVJG-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
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-[2-(octylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(octylamino)ethyl]pyridin-2-one (CID 82896657) is 1-[2-(octylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(octylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(octylamino)ethyl]pyridin-2-one is CCCCCCCCNCCn1ccccc1=O.
What is the InChIKey of 1-[2-(octylamino)ethyl]pyridin-2-one?
The InChIKey is SJKLDGKROJBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-4-5-6-8-11-16-12-14-17-13-9-7-10-15(17)18/h7,9-10,13,16H,2-6,8,11-12,14H2,1H3.
What are the key properties of 1-[2-(octylamino)ethyl]pyridin-2-one?
1-[2-(octylamino)ethyl]pyridin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(octylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 82896657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).