N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine

C12H20N2S — CID 107765564

IUPACN-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine
SMILESCCNc1cc(SC(C)C(C)C)ccn1
InChIInChI=1S/C12H20N2S/c1-5-13-12-8-11(6-7-14-12)15-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,13,14)
InChIKeyYIMAILCMRMHPCK-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine

N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine (PubChem CID 107765564) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine
PubChem CID107765564
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine
SMILESCCNc1cc(SC(C)C(C)C)ccn1
InChIInChI=1S/C12H20N2S/c1-5-13-12-8-11(6-7-14-12)15-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,13,14)
InChIKeyYIMAILCMRMHPCK-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-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104605019
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
N-ethyl-4-[1-[2-(2-methylhydrazinyl)ethylamino]ethyl]pyridin-2-amine
CID 167130384
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
4-(cyclohexylmethoxy)-N-ethylpyridin-2-amine
CID 113368141
N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
CID 107765703
2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115760555
N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
CID 80886558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine?
The IUPAC name of N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine (CID 107765564) is N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine is CCNc1cc(SC(C)C(C)C)ccn1.
What is the InChIKey of N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine?
The InChIKey is YIMAILCMRMHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-5-13-12-8-11(6-7-14-12)15-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,13,14).
What are the key properties of N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine?
N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-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-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 107765564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).