2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine

C17H26N2S — CID 79748078

IUPAC2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2S/c1-2-18-16(12-20-14-7-3-4-8-14)15-10-9-13-6-5-11-19-17(13)15/h5-6,11,14-16,18H,2-4,7-10,12H2,1H3
InChIKeyOXYPUXLMKWATQL-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.77
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine

2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine (PubChem CID 79748078) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine
PubChem CID79748078
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2S/c1-2-18-16(12-20-14-7-3-4-8-14)15-10-9-13-6-5-11-19-17(13)15/h5-6,11,14-16,18H,2-4,7-10,12H2,1H3
InChIKeyOXYPUXLMKWATQL-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 79748872
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 79739728
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105166170
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105166002
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105166115
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105009645
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761197
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine (CID 79748078) is 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine is CCNC(CSC1CCCC1)C1CCc2cccnc21.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine?
The InChIKey is OXYPUXLMKWATQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-18-16(12-20-14-7-3-4-8-14)15-10-9-13-6-5-11-19-17(13)15/h5-6,11,14-16,18H,2-4,7-10,12H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine?
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine has a molecular weight of 290.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine is sourced from PubChem (CID 79748078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).