1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine

C15H18N2S — CID 66446523

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3c(s2)CCC3)nc1
InChIInChI=1S/C15H18N2S/c1-10-5-6-12(17-9-10)8-13(16)15-7-11-3-2-4-14(11)18-15/h5-7,9,13H,2-4,8,16H2,1H3
InChIKeyJXEPDWQGDMORAZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.18
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66446523) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66446523
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3c(s2)CCC3)nc1
InChIInChI=1S/C15H18N2S/c1-10-5-6-12(17-9-10)8-13(16)15-7-11-3-2-4-14(11)18-15/h5-7,9,13H,2-4,8,16H2,1H3
InChIKeyJXEPDWQGDMORAZ-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]-5-methylpyridine
CID 66454224
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
2-(2-chloro-4-methylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 106866863
2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 63527268
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66446523) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cc3c(s2)CCC3)nc1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is JXEPDWQGDMORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-5-6-12(17-9-10)8-13(16)15-7-11-3-2-4-14(11)18-15/h5-7,9,13H,2-4,8,16H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).