1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one

C14H24N2O2 — CID 114145307

IUPAC1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one
SMILESCCCC(CCO)CNCCn1ccccc1=O
InChIInChI=1S/C14H24N2O2/c1-2-5-13(7-11-17)12-15-8-10-16-9-4-3-6-14(16)18/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3
InChIKeyLAXNQBQOQRLNAZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds9

About 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one

1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one (PubChem CID 114145307) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one
PubChem CID114145307
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one
SMILESCCCC(CCO)CNCCn1ccccc1=O
InChIInChI=1S/C14H24N2O2/c1-2-5-13(7-11-17)12-15-8-10-16-9-4-3-6-14(16)18/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3
InChIKeyLAXNQBQOQRLNAZ-UHFFFAOYSA-N
XLogP1.24
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one (CID 114145307) is 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one is CCCC(CCO)CNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one?
The InChIKey is LAXNQBQOQRLNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-5-13(7-11-17)12-15-8-10-16-9-4-3-6-14(16)18/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3.
What are the key properties of 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one?
1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 114145307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).