5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine

C13H17N3S — CID 80525997

IUPAC5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCC(C)(CNc1ccc(N)nc1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-13(2,11-4-3-7-17-11)9-16-10-5-6-12(14)15-8-10/h3-8,16H,9H2,1-2H3,(H2,14,15)
InChIKeyOIQXQQKYSOHSCX-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.12
Rot. Bonds4

About 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine

5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine (PubChem CID 80525997) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
PubChem CID80525997
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCC(C)(CNc1ccc(N)nc1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-13(2,11-4-3-7-17-11)9-16-10-5-6-12(14)15-8-10/h3-8,16H,9H2,1-2H3,(H2,14,15)
InChIKeyOIQXQQKYSOHSCX-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)-6-nitropyridin-3-amine
CID 78993099
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
5-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 61166078
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437186
5-tert-butyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874798
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 80526019

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine (CID 80525997) is 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine is CC(C)(CNc1ccc(N)nc1)c1cccs1.
What is the InChIKey of 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The InChIKey is OIQXQQKYSOHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,11-4-3-7-17-11)9-16-10-5-6-12(14)15-8-10/h3-8,16H,9H2,1-2H3,(H2,14,15).
What are the key properties of 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 80525997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).