[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine

C16H26N2S — CID 55011166

IUPAC[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCc3sccc3C2C)C1
InChIInChI=1S/C16H26N2S/c1-12-4-3-7-16(10-12,11-17)18-8-5-15-14(13(18)2)6-9-19-15/h6,9,12-13H,3-5,7-8,10-11,17H2,1-2H3
InChIKeyOUYGTAGKRJUOAI-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.57
Rot. Bonds2

About [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine

[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine (PubChem CID 55011166) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine
PubChem CID55011166
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCc3sccc3C2C)C1
InChIInChI=1S/C16H26N2S/c1-12-4-3-7-16(10-12,11-17)18-8-5-15-14(13(18)2)6-9-19-15/h6,9,12-13H,3-5,7-8,10-11,17H2,1-2H3
InChIKeyOUYGTAGKRJUOAI-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine (CID 55011166) is [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine is CC1CCCC(CN)(N2CCc3sccc3C2C)C1.
What is the InChIKey of [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine?
The InChIKey is OUYGTAGKRJUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-4-3-7-16(10-12,11-17)18-8-5-15-14(13(18)2)6-9-19-15/h6,9,12-13H,3-5,7-8,10-11,17H2,1-2H3.
What are the key properties of [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine?
[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine has a molecular weight of 278.46 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 55011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).