5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine

C13H17N3S — CID 104535249

IUPAC5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
SMILESCC(Cc1cccs1)N(C)c1cncc(N)c1
InChIInChI=1S/C13H17N3S/c1-10(6-13-4-3-5-17-13)16(2)12-7-11(14)8-15-9-12/h3-5,7-10H,6,14H2,1-2H3
InChIKeyMOLFXUBWUOXNND-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.79
Rot. Bonds4

About 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine

5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine (PubChem CID 104535249) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
PubChem CID104535249
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
SMILESCC(Cc1cccs1)N(C)c1cncc(N)c1
InChIInChI=1S/C13H17N3S/c1-10(6-13-4-3-5-17-13)16(2)12-7-11(14)8-15-9-12/h3-5,7-10H,6,14H2,1-2H3
InChIKeyMOLFXUBWUOXNND-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
N-methyl-6-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 83127076
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine (CID 104535249) is 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine is CC(Cc1cccs1)N(C)c1cncc(N)c1.
What is the InChIKey of 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine?
The InChIKey is MOLFXUBWUOXNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(6-13-4-3-5-17-13)16(2)12-7-11(14)8-15-9-12/h3-5,7-10H,6,14H2,1-2H3.
What are the key properties of 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine?
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104535249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).