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

C13H22N2S — CID 62427583

IUPACN-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
SMILESCCC(CNC)N1CCc2sccc2C1C
InChIInChI=1S/C13H22N2S/c1-4-11(9-14-3)15-7-5-13-12(10(15)2)6-8-16-13/h6,8,10-11,14H,4-5,7,9H2,1-3H3
InChIKeyMSUDQWGMJWZMCY-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.67
Rot. Bonds4

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

N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine (PubChem CID 62427583) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
PubChem CID62427583
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
SMILESCCC(CNC)N1CCc2sccc2C1C
InChIInChI=1S/C13H22N2S/c1-4-11(9-14-3)15-7-5-13-12(10(15)2)6-8-16-13/h6,8,10-11,14H,4-5,7,9H2,1-3H3
InChIKeyMSUDQWGMJWZMCY-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine (CID 62427583) is N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine is CCC(CNC)N1CCc2sccc2C1C.
What is the InChIKey of N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The InChIKey is MSUDQWGMJWZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11(9-14-3)15-7-5-13-12(10(15)2)6-8-16-13/h6,8,10-11,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine is sourced from PubChem (CID 62427583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).