2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine

C13H17N3S — CID 113447468

IUPAC2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
SMILESCN(CCc1cccs1)Cc1ncccc1N
InChIInChI=1S/C13H17N3S/c1-16(8-6-11-4-3-9-17-11)10-13-12(14)5-2-7-15-13/h2-5,7,9H,6,8,10,14H2,1H3
InChIKeyISBIIDPELDHPBZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.40
Rot. Bonds5

About 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine (PubChem CID 113447468) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
PubChem CID113447468
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
SMILESCN(CCc1cccs1)Cc1ncccc1N
InChIInChI=1S/C13H17N3S/c1-16(8-6-11-4-3-9-17-11)10-13-12(14)5-2-7-15-13/h2-5,7,9H,6,8,10,14H2,1H3
InChIKeyISBIIDPELDHPBZ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79489443
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine (CID 113447468) is 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine is CN(CCc1cccs1)Cc1ncccc1N.
What is the InChIKey of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine?
The InChIKey is ISBIIDPELDHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(8-6-11-4-3-9-17-11)10-13-12(14)5-2-7-15-13/h2-5,7,9H,6,8,10,14H2,1H3.
What are the key properties of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine?
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine has a molecular weight of 247.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 113447468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).