3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one

C14H21BrN2O — CID 114761535

IUPAC3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCCCC1NCCn1cccc(Br)c1=O
InChIInChI=1S/C14H21BrN2O/c1-11-5-2-3-7-13(11)16-8-10-17-9-4-6-12(15)14(17)18/h4,6,9,11,13,16H,2-3,5,7-8,10H2,1H3
InChIKeyOEDQWDHAZBNEAK-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds4

About 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one

3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one (PubChem CID 114761535) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
PubChem CID114761535
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCCCC1NCCn1cccc(Br)c1=O
InChIInChI=1S/C14H21BrN2O/c1-11-5-2-3-7-13(11)16-8-10-17-9-4-6-12(15)14(17)18/h4,6,9,11,13,16H,2-3,5,7-8,10H2,1H3
InChIKeyOEDQWDHAZBNEAK-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 115352025
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761550
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one
CID 115714054
1-[2-[(2,3-dimethylcyclopentyl)amino]ethyl]pyridin-2-one
CID 82896746
1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
CID 107916927
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
CID 59436642
3-bromo-1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 114761559
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
3-bromo-1-pent-3-ynylpyridin-2-one
CID 114761264
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
2-methyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]cyclohexan-1-amine
CID 62563466

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one (CID 114761535) is 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one is CC1CCCCC1NCCn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The InChIKey is OEDQWDHAZBNEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-5-2-3-7-13(11)16-8-10-17-9-4-6-12(15)14(17)18/h4,6,9,11,13,16H,2-3,5,7-8,10H2,1H3.
What are the key properties of 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one?
3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one has a molecular weight of 313.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 114761535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).