3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C13H17N3S — CID 114057374

IUPAC3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccs1)c1ncccc1CCN
InChIInChI=1S/C13H17N3S/c1-16(10-12-5-3-9-17-12)13-11(6-7-14)4-2-8-15-13/h2-5,8-9H,6-7,10,14H2,1H3
InChIKeyWQPKBGUOBAWKSR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.28
Rot. Bonds5

About 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 114057374) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID114057374
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccs1)c1ncccc1CCN
InChIInChI=1S/C13H17N3S/c1-16(10-12-5-3-9-17-12)13-11(6-7-14)4-2-8-15-13/h2-5,8-9H,6-7,10,14H2,1H3
InChIKeyWQPKBGUOBAWKSR-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 62895005
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 114057374) is 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CN(Cc1cccs1)c1ncccc1CCN.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is WQPKBGUOBAWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(10-12-5-3-9-17-12)13-11(6-7-14)4-2-8-15-13/h2-5,8-9H,6-7,10,14H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114057374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).