N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine

C13H20N2S — CID 115735839

IUPACN-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NC2CCC(C)CC2)nc1
InChIInChI=1S/C13H20N2S/c1-10-3-5-11(6-4-10)15-13-8-7-12(16-2)9-14-13/h7-11H,3-6H2,1-2H3,(H,14,15)
InChIKeyKWGFOONVQACLOR-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.79
Rot. Bonds3

About N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine

N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine (PubChem CID 115735839) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine
PubChem CID115735839
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NC2CCC(C)CC2)nc1
InChIInChI=1S/C13H20N2S/c1-10-3-5-11(6-4-10)15-13-8-7-12(16-2)9-14-13/h7-11H,3-6H2,1-2H3,(H,14,15)
InChIKeyKWGFOONVQACLOR-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine (CID 115735839) is N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine is CSc1ccc(NC2CCC(C)CC2)nc1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine?
The InChIKey is KWGFOONVQACLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-3-5-11(6-4-10)15-13-8-7-12(16-2)9-14-13/h7-11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine?
N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine has a molecular weight of 236.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 115735839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).