3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine

C13H17N3S — CID 104532945

IUPAC3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(N(C)Cc2cccs2)c1
InChIInChI=1S/C13H17N3S/c1-3-15-11-7-12(9-14-8-11)16(2)10-13-5-4-6-17-13/h4-9,15H,3,10H2,1-2H3
InChIKeyUHBPBSPCEUTMBZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.21
Rot. Bonds5

About 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine

3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine (PubChem CID 104532945) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
PubChem CID104532945
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(N(C)Cc2cccs2)c1
InChIInChI=1S/C13H17N3S/c1-3-15-11-7-12(9-14-8-11)16(2)10-13-5-4-6-17-13/h4-9,15H,3,10H2,1-2H3
InChIKeyUHBPBSPCEUTMBZ-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
3-N-ethyl-5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3,5-diamine
CID 113423912
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448
6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245474

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine (CID 104532945) is 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine is CCNc1cncc(N(C)Cc2cccs2)c1.
What is the InChIKey of 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The InChIKey is UHBPBSPCEUTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-15-11-7-12(9-14-8-11)16(2)10-13-5-4-6-17-13/h4-9,15H,3,10H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).