1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C17H26N2O — CID 104748148

IUPAC1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-18-15(13-6-3-2-4-7-13)12-19-16-9-5-8-14(16)10-11-17(19)20/h10-11,13,15,18H,2-9,12H2,1H3
InChIKeyNQMMQIMROIHOIH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 104748148) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID104748148
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-18-15(13-6-3-2-4-7-13)12-19-16-9-5-8-14(16)10-11-17(19)20/h10-11,13,15,18H,2-9,12H2,1H3
InChIKeyNQMMQIMROIHOIH-UHFFFAOYSA-N
XLogP2.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748154
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391037
1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391010
1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104753376
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
CID 104747242
1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169241
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 122623826
1-cyclohexyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 104744540

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 104748148) is 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is NQMMQIMROIHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18-15(13-6-3-2-4-7-13)12-19-16-9-5-8-14(16)10-11-17(19)20/h10-11,13,15,18H,2-9,12H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 104748148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).