N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine

C12H20N2S — CID 115921450

IUPACN-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
SMILESCCC(Nc1ccc(SC)cn1)C(C)C
InChIInChI=1S/C12H20N2S/c1-5-11(9(2)3)14-12-7-6-10(15-4)8-13-12/h6-9,11H,5H2,1-4H3,(H,13,14)
InChIKeyGQKWRORBJIWOEL-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.65
Rot. Bonds5

About N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine

N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine (PubChem CID 115921450) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
PubChem CID115921450
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
SMILESCCC(Nc1ccc(SC)cn1)C(C)C
InChIInChI=1S/C12H20N2S/c1-5-11(9(2)3)14-12-7-6-10(15-4)8-13-12/h6-9,11H,5H2,1-4H3,(H,13,14)
InChIKeyGQKWRORBJIWOEL-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-methylsulfanylpyridin-2-amine
CID 115921477
5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 115921453
N-methyl-5-methylsulfanylpyridin-2-amine
CID 68974266
5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine
CID 106354222
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide
CID 143937565
2-ethyl-5-methylsulfanylpyridine
CID 19432957
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441
2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 80804129

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine (CID 115921450) is N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine is CCC(Nc1ccc(SC)cn1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine?
The InChIKey is GQKWRORBJIWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-5-11(9(2)3)14-12-7-6-10(15-4)8-13-12/h6-9,11H,5H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine?
N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 115921450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).