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

C14H18N2S — CID 43491878

IUPACN-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)sc1C
InChIInChI=1S/C14H18N2S/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-11(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyWAOSQUJSAATPGU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.46
Rot. Bonds4

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

N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 43491878) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID43491878
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)sc1C
InChIInChI=1S/C14H18N2S/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-11(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyWAOSQUJSAATPGU-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185029
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (CID 43491878) is N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is WAOSQUJSAATPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-11(13)3/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 43491878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).