N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine

C13H16N2S — CID 65105127

IUPACN-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1ccccn1
InChIInChI=1S/C13H16N2S/c1-3-14-13(11-8-10(2)16-9-11)12-6-4-5-7-15-12/h4-9,13-14H,3H2,1-2H3
InChIKeyMOBVQRMADHIJKZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.15
Rot. Bonds4

About N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine

N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine (PubChem CID 65105127) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
PubChem CID65105127
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1ccccn1
InChIInChI=1S/C13H16N2S/c1-3-14-13(11-8-10(2)16-9-11)12-6-4-5-7-15-12/h4-9,13-14H,3H2,1-2H3
InChIKeyMOBVQRMADHIJKZ-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-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[(6-methyl-2-pyridinyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65104755
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
CID 107288759
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine (CID 65105127) is N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine is CCNC(c1csc(C)c1)c1ccccn1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine?
The InChIKey is MOBVQRMADHIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-14-13(11-8-10(2)16-9-11)12-6-4-5-7-15-12/h4-9,13-14H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine?
N-[(5-methylthiophen-3-yl)-pyridin-2-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-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 65105127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).