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

C15H24N2S — CID 55008611

IUPAC1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
SMILESCC1c2ccsc2CCN1CC1(N)CCCCC1
InChIInChI=1S/C15H24N2S/c1-12-13-6-10-18-14(13)5-9-17(12)11-15(16)7-3-2-4-8-15/h6,10,12H,2-5,7-9,11,16H2,1H3
InChIKeyKXTILQVOPZUFKU-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.33
Rot. Bonds2

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

1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine (PubChem CID 55008611) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
PubChem CID55008611
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
SMILESCC1c2ccsc2CCN1CC1(N)CCCCC1
InChIInChI=1S/C15H24N2S/c1-12-13-6-10-18-14(13)5-9-17(12)11-15(16)7-3-2-4-8-15/h6,10,12H,2-5,7-9,11,16H2,1H3
InChIKeyKXTILQVOPZUFKU-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine (CID 55008611) is 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine is CC1c2ccsc2CCN1CC1(N)CCCCC1.
What is the InChIKey of 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is KXTILQVOPZUFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-13-6-10-18-14(13)5-9-17(12)11-15(16)7-3-2-4-8-15/h6,10,12H,2-5,7-9,11,16H2,1H3.
What are the key properties of 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55008611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).