2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine

C12H20N2OS — CID 107748118

IUPAC2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCCOc1nc(SCCC(C)C)ccc1N
InChIInChI=1S/C12H20N2OS/c1-4-15-12-10(13)5-6-11(14-12)16-8-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyLKSNUCUWLLNKDI-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.20
Rot. Bonds6

About 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine

2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine (PubChem CID 107748118) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
PubChem CID107748118
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCCOc1nc(SCCC(C)C)ccc1N
InChIInChI=1S/C12H20N2OS/c1-4-15-12-10(13)5-6-11(14-12)16-8-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyLKSNUCUWLLNKDI-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-(3-methylbutoxy)pyridin-3-amine
CID 43262247
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262852
6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 43262736
2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
CID 82945420
6-methyl-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748105
6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748191
6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 63538558
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 63537724
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
CID 43617394
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine (CID 107748118) is 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine is CCOc1nc(SCCC(C)C)ccc1N.
What is the InChIKey of 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The InChIKey is LKSNUCUWLLNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-15-12-10(13)5-6-11(14-12)16-8-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine?
2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine has a molecular weight of 240.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 107748118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).