N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine

C12H20N2S — CID 115921477

IUPACN-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NC(C)C(C)(C)C)nc1
InChIInChI=1S/C12H20N2S/c1-9(12(2,3)4)14-11-7-6-10(15-5)8-13-11/h6-9H,1-5H3,(H,13,14)
InChIKeyOQRGDTUSNXEQER-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.65
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine

N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine (PubChem CID 115921477) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
PubChem CID115921477
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NC(C)C(C)(C)C)nc1
InChIInChI=1S/C12H20N2S/c1-9(12(2,3)4)14-11-7-6-10(15-5)8-13-11/h6-9H,1-5H3,(H,13,14)
InChIKeyOQRGDTUSNXEQER-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine (CID 115921477) is N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine is CSc1ccc(NC(C)C(C)(C)C)nc1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine?
The InChIKey is OQRGDTUSNXEQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(12(2,3)4)14-11-7-6-10(15-5)8-13-11/h6-9H,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine?
N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 115921477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).