5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one

C13H21BrN2O — CID 62562112

IUPAC5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one
SMILESCCCCCCNCCn1cc(Br)ccc1=O
InChIInChI=1S/C13H21BrN2O/c1-2-3-4-5-8-15-9-10-16-11-12(14)6-7-13(16)17/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyVBBLHCIBZATLBN-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.78
Rot. Bonds8

About 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one

5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one (PubChem CID 62562112) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one
PubChem CID62562112
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one
SMILESCCCCCCNCCn1cc(Br)ccc1=O
InChIInChI=1S/C13H21BrN2O/c1-2-3-4-5-8-15-9-10-16-11-12(14)6-7-13(16)17/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyVBBLHCIBZATLBN-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.78
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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Related Compounds

5-bromo-1-[3-(methylamino)propyl]pyridin-2-one
CID 61387594
5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
CID 62563342
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
5-bromo-1-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]pyridin-2-one
CID 55087737
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
1-[2-(pentylamino)ethyl]pyridin-4-one
CID 62881028
N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 126454671
1-hexyl-5-propan-2-ylpyridin-2-one
CID 58592774
5-(heptylamino)-1-methylpyridin-2-one
CID 60930783
1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one (CID 62562112) is 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one is CCCCCCNCCn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one?
The InChIKey is VBBLHCIBZATLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-2-3-4-5-8-15-9-10-16-11-12(14)6-7-13(16)17/h6-7,11,15H,2-5,8-10H2,1H3.
What are the key properties of 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one?
5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one has a molecular weight of 301.23 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 62562112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).