5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine

C16H22N2S — CID 107874590

IUPAC5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
SMILESCCC(Nc1ccc(C(C)(C)C)cn1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-5-13(14-7-6-10-19-14)18-15-9-8-12(11-17-15)16(2,3)4/h6-11,13H,5H2,1-4H3,(H,17,18)
InChIKeyURHMXYPQUOIWOH-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.00
Rot. Bonds4

About 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine

5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine (PubChem CID 107874590) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
PubChem CID107874590
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
SMILESCCC(Nc1ccc(C(C)(C)C)cn1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-5-13(14-7-6-10-19-14)18-15-9-8-12(11-17-15)16(2,3)4/h6-11,13H,5H2,1-4H3,(H,17,18)
InChIKeyURHMXYPQUOIWOH-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
5-tert-butyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874798
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
5-tert-butyl-2-thiophen-2-ylpyridine
CID 59737214
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine (CID 107874590) is 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine is CCC(Nc1ccc(C(C)(C)C)cn1)c1cccs1.
What is the InChIKey of 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The InChIKey is URHMXYPQUOIWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-13(14-7-6-10-19-14)18-15-9-8-12(11-17-15)16(2,3)4/h6-11,13H,5H2,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine has a molecular weight of 274.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 107874590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).