(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine

C16H22N2S — CID 81144345

IUPAC(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCCC1CCCC(C(N)c2cnc3ccsc3c2)C1
InChIInChI=1S/C16H22N2S/c1-2-11-4-3-5-12(8-11)16(17)13-9-15-14(18-10-13)6-7-19-15/h6-7,9-12,16H,2-5,8,17H2,1H3
InChIKeyZLZDEVGRDRXRIG-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.51
Rot. Bonds3

About (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine

(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81144345) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81144345
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCCC1CCCC(C(N)c2cnc3ccsc3c2)C1
InChIInChI=1S/C16H22N2S/c1-2-11-4-3-5-12(8-11)16(17)13-9-15-14(18-10-13)6-7-19-15/h6-7,9-12,16H,2-5,8,17H2,1H3
InChIKeyZLZDEVGRDRXRIG-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)cyclohexan-1-amine
CID 64830571
(2-cyclopentyl-1-thieno[3,2-b]pyridin-6-ylethyl)hydrazine
CID 105256371
[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256370
(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine
CID 65414138
N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
CID 82931928
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
3-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81143575
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143484

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81144345) is (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine is CCC1CCCC(C(N)c2cnc3ccsc3c2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is ZLZDEVGRDRXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-11-4-3-5-12(8-11)16(17)13-9-15-14(18-10-13)6-7-19-15/h6-7,9-12,16H,2-5,8,17H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine?
(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81144345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).