2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine

C13H17N3S — CID 79470815

IUPAC2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
SMILESCN(CCc1cccs1)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3S/c1-16(7-5-13-3-2-8-17-13)12-4-6-15-11(9-12)10-14/h2-4,6,8-9H,5,7,10,14H2,1H3
InChIKeyRLRFAAQBMCNSKB-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.28
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine (PubChem CID 79470815) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
PubChem CID79470815
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
SMILESCN(CCc1cccs1)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3S/c1-16(7-5-13-3-2-8-17-13)12-4-6-15-11(9-12)10-14/h2-4,6,8-9H,5,7,10,14H2,1H3
InChIKeyRLRFAAQBMCNSKB-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

2-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79486163
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695632
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 62321392

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine (CID 79470815) is 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine is CN(CCc1cccs1)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The InChIKey is RLRFAAQBMCNSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(7-5-13-3-2-8-17-13)12-4-6-15-11(9-12)10-14/h2-4,6,8-9H,5,7,10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-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 2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine is sourced from PubChem (CID 79470815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).