2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine

C15H21N3S — CID 80852489

IUPAC2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCC(C)(C)c2cccs2)n1
InChIInChI=1S/C15H21N3S/c1-4-16-13-8-5-9-14(18-13)17-11-15(2,3)12-7-6-10-19-12/h5-10H,4,11H2,1-3H3,(H2,16,17,18)
InChIKeyPWTINPDKOLRLPB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds6

About 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine (PubChem CID 80852489) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
PubChem CID80852489
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCC(C)(C)c2cccs2)n1
InChIInChI=1S/C15H21N3S/c1-4-16-13-8-5-9-14(18-13)17-11-15(2,3)12-7-6-10-19-12/h5-10H,4,11H2,1-3H3,(H2,16,17,18)
InChIKeyPWTINPDKOLRLPB-UHFFFAOYSA-N
XLogP3.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528250
5-tert-butyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874798
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
6-N-(2-methyl-2-thiophen-2-ylpropyl)-3-nitropyridine-2,6-diamine
CID 80528406
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565509
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 80528200
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80528351
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 80527787

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine (CID 80852489) is 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine is CCNc1cccc(NCC(C)(C)c2cccs2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine?
The InChIKey is PWTINPDKOLRLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-16-13-8-5-9-14(18-13)17-11-15(2,3)12-7-6-10-19-12/h5-10H,4,11H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80852489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).