N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine

C12H20N2S — CID 133492168

IUPACN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCSCCC(C)N(C)c1ccnc(C)c1
InChIInChI=1S/C12H20N2S/c1-10-9-12(5-7-13-10)14(3)11(2)6-8-15-4/h5,7,9,11H,6,8H2,1-4H3
InChIKeyIERZLTXJRJAZKV-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.97
Rot. Bonds5

About N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine

N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine (PubChem CID 133492168) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
PubChem CID133492168
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCSCCC(C)N(C)c1ccnc(C)c1
InChIInChI=1S/C12H20N2S/c1-10-9-12(5-7-13-10)14(3)11(2)6-8-15-4/h5,7,9,11H,6,8H2,1-4H3
InChIKeyIERZLTXJRJAZKV-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine (CID 133492168) is N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine is CSCCC(C)N(C)c1ccnc(C)c1.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine?
The InChIKey is IERZLTXJRJAZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-9-12(5-7-13-10)14(3)11(2)6-8-15-4/h5,7,9,11H,6,8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine?
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 133492168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).