1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C15H24N2S — CID 79748872

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)C1CCc2cccnc21
InChIInChI=1S/C15H24N2S/c1-4-16-14(10-18-11(2)3)13-8-7-12-6-5-9-17-15(12)13/h5-6,9,11,13-14,16H,4,7-8,10H2,1-3H3
InChIKeyMEESNHPKDWQPGN-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.23
Rot. Bonds6

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 79748872) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID79748872
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)C1CCc2cccnc21
InChIInChI=1S/C15H24N2S/c1-4-16-14(10-18-11(2)3)13-8-7-12-6-5-9-17-15(12)13/h5-6,9,11,13-14,16H,4,7-8,10H2,1-3H3
InChIKeyMEESNHPKDWQPGN-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.23
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-phenylsulfanylethanamine
CID 79739728
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine
CID 79748078
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
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
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)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761197
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)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 105166112

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 79748872) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is MEESNHPKDWQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-16-14(10-18-11(2)3)13-8-7-12-6-5-9-17-15(12)13/h5-6,9,11,13-14,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 79748872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).