N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine

C13H16N2S — CID 102831849

IUPACN-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ccsc1C
InChIInChI=1S/C13H16N2S/c1-3-15-13(11-5-4-7-14-9-11)12-6-8-16-10(12)2/h4-9,13,15H,3H2,1-2H3
InChIKeyCCEOKOWOWPMNEM-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.15
Rot. Bonds4

About N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine

N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 102831849) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID102831849
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ccsc1C
InChIInChI=1S/C13H16N2S/c1-3-15-13(11-5-4-7-14-9-11)12-6-8-16-10(12)2/h4-9,13,15H,3H2,1-2H3
InChIKeyCCEOKOWOWPMNEM-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833538
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (CID 102831849) is N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is CCEOKOWOWPMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-15-13(11-5-4-7-14-9-11)12-6-8-16-10(12)2/h4-9,13,15H,3H2,1-2H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 102831849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).