N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine

C13H16N2S — CID 65104741

IUPACN-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1csc(C)c1
InChIInChI=1S/C13H16N2S/c1-10-6-12(9-16-10)13(14-2)7-11-4-3-5-15-8-11/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyNEQUBJZCTUACGJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine

N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine (PubChem CID 65104741) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
PubChem CID65104741
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1csc(C)c1
InChIInChI=1S/C13H16N2S/c1-10-6-12(9-16-10)13(14-2)7-11-4-3-5-15-8-11/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyNEQUBJZCTUACGJ-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949
2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991463
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
N-ethyl-1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanamine
CID 65104859
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine (CID 65104741) is N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)c1csc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine?
The InChIKey is NEQUBJZCTUACGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-6-12(9-16-10)13(14-2)7-11-4-3-5-15-8-11/h3-6,8-9,13-14H,7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine?
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 65104741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).