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

C11H18N2OS — CID 107748191

IUPAC6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCOc1ccc(N)c(SCCC(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-8(2)6-7-15-11-9(12)4-5-10(13-11)14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyXFMCPWGKFRJFGE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.81
Rot. Bonds5

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

6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine (PubChem CID 107748191) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine
PubChem CID107748191
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCOc1ccc(N)c(SCCC(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-8(2)6-7-15-11-9(12)4-5-10(13-11)14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyXFMCPWGKFRJFGE-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748105
2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine
CID 115321354
6-methoxy-2-methylsulfanylpyridin-3-amine
CID 22592086
2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748118
2-methoxy-6-(4-methylpentoxy)pyridin-3-amine
CID 43262525
2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 115320620
3,5-dichloro-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765860
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
4-(3-methylbutylsulfanyl)-2-propan-2-yloxyaniline
CID 107748158
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
CID 115321381

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine (CID 107748191) is 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine is COc1ccc(N)c(SCCC(C)C)n1.
What is the InChIKey of 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine?
The InChIKey is XFMCPWGKFRJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)6-7-15-11-9(12)4-5-10(13-11)14-3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine?
6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine has a molecular weight of 226.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylbutylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 107748191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).