N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine

C12H20N2S — CID 115744764

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
SMILESCCSCCC(C)Nc1ccc(C)cn1
InChIInChI=1S/C12H20N2S/c1-4-15-8-7-11(3)14-12-6-5-10(2)9-13-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyNOEYRILYDKWZHL-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.33
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine

N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine (PubChem CID 115744764) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
PubChem CID115744764
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
SMILESCCSCCC(C)Nc1ccc(C)cn1
InChIInChI=1S/C12H20N2S/c1-4-15-8-7-11(3)14-12-6-5-10(2)9-13-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyNOEYRILYDKWZHL-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
N-(4-ethylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 113244315
5-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 64642249
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115899298
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 113268493
N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
CID 115744775
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 115744765
5-amino-2-(4-ethylsulfanylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 114047418
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 115665154

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine (CID 115744764) is N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine is CCSCCC(C)Nc1ccc(C)cn1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine?
The InChIKey is NOEYRILYDKWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-15-8-7-11(3)14-12-6-5-10(2)9-13-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine?
N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 115744764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).