N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine

C17H24N2S — CID 82931928

IUPACN-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)C1CCCCCC1
InChIInChI=1S/C17H24N2S/c1-2-18-17(13-7-5-3-4-6-8-13)14-11-16-15(19-12-14)9-10-20-16/h9-13,17-18H,2-8H2,1H3
InChIKeyQAUUGTAWDODWLU-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.92
Rot. Bonds4

About N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine

N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine (PubChem CID 82931928) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
PubChem CID82931928
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)C1CCCCCC1
InChIInChI=1S/C17H24N2S/c1-2-18-17(13-7-5-3-4-6-8-13)14-11-16-15(19-12-14)9-10-20-16/h9-13,17-18H,2-8H2,1H3
InChIKeyQAUUGTAWDODWLU-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256370
[cyclopropyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256331
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
(2-cyclopentyl-1-thieno[3,2-b]pyridin-6-ylethyl)hydrazine
CID 105256371
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
CID 64928442
(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144345
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)cyclohexan-1-amine
CID 64830571
N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143203
N-[(5-fluoro-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81144068

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine (CID 82931928) is N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine is CCNC(c1cnc2ccsc2c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine?
The InChIKey is QAUUGTAWDODWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-18-17(13-7-5-3-4-6-8-13)14-11-16-15(19-12-14)9-10-20-16/h9-13,17-18H,2-8H2,1H3.
What are the key properties of N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine?
N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine is sourced from PubChem (CID 82931928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).