N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine

C13H16N2S — CID 755653

IUPACN-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCc1ccccn1)Cc1ccsc1
InChIInChI=1S/C13H16N2S/c1-15(10-12-6-9-16-11-12)8-5-13-4-2-3-7-14-13/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyAAVQIIABGQQNCP-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine

N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 755653) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID755653
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCc1ccccn1)Cc1ccsc1
InChIInChI=1S/C13H16N2S/c1-15(10-12-6-9-16-11-12)8-5-13-4-2-3-7-14-13/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyAAVQIIABGQQNCP-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 755653) is N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine is CN(CCc1ccccn1)Cc1ccsc1.
What is the InChIKey of N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is AAVQIIABGQQNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-15(10-12-6-9-16-11-12)8-5-13-4-2-3-7-14-13/h2-4,6-7,9,11H,5,8,10H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine?
N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 755653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).