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

C18H28N2O — CID 104748154

IUPAC1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-2-19-16(14-7-4-3-5-8-14)13-20-17-10-6-9-15(17)11-12-18(20)21/h11-12,14,16,19H,2-10,13H2,1H3
InChIKeyRGOYMRCLVRRLFQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.90
Rot. Bonds5

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

1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 104748154) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID104748154
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-2-19-16(14-7-4-3-5-8-14)13-20-17-10-6-9-15(17)11-12-18(20)21/h11-12,14,16,19H,2-10,13H2,1H3
InChIKeyRGOYMRCLVRRLFQ-UHFFFAOYSA-N
XLogP2.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748148
1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391010
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104753376
1-[2-cyclohexyl-2-(ethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
CID 104747634
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 106800562
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
3-[2-cyclohexyl-2-(ethylamino)ethyl]-1,3-oxazolidin-2-one
CID 104747277
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391056
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 104748154) is 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCNC(Cn1c2c(ccc1=O)CCC2)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is RGOYMRCLVRRLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-19-16(14-7-4-3-5-8-14)13-20-17-10-6-9-15(17)11-12-18(20)21/h11-12,14,16,19H,2-10,13H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 288.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 104748154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).