2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine

C13H20N2S — CID 114462344

IUPAC2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCC1=CCN(C(CN)c2sccc2C)CC1
InChIInChI=1S/C13H20N2S/c1-10-3-6-15(7-4-10)12(9-14)13-11(2)5-8-16-13/h3,5,8,12H,4,6-7,9,14H2,1-2H3
InChIKeyRXTOCFUCGWHTDO-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine

2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 114462344) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID114462344
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCC1=CCN(C(CN)c2sccc2C)CC1
InChIInChI=1S/C13H20N2S/c1-10-3-6-15(7-4-10)12(9-14)13-11(2)5-8-16-13/h3,5,8,12H,4,6-7,9,14H2,1-2H3
InChIKeyRXTOCFUCGWHTDO-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 114462445
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63189538
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264
4-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-1,4-diazepan-2-one
CID 65361566
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55011118
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine (CID 114462344) is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine is CC1=CCN(C(CN)c2sccc2C)CC1.
What is the InChIKey of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is RXTOCFUCGWHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-3-6-15(7-4-10)12(9-14)13-11(2)5-8-16-13/h3,5,8,12H,4,6-7,9,14H2,1-2H3.
What are the key properties of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 236.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 114462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).