[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine

C12H20N2S — CID 107752126

IUPAC[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(SCCC(C)C)n1
InChIInChI=1S/C12H20N2S/c1-9(2)4-5-15-12-7-11(8-13)6-10(3)14-12/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyWJJOWAVMDLBSFZ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.99
Rot. Bonds5

About [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine

[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine (PubChem CID 107752126) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
PubChem CID107752126
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(SCCC(C)C)n1
InChIInChI=1S/C12H20N2S/c1-9(2)4-5-15-12-7-11(8-13)6-10(3)14-12/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyWJJOWAVMDLBSFZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769868
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine (CID 107752126) is [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine is Cc1cc(CN)cc(SCCC(C)C)n1.
What is the InChIKey of [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine?
The InChIKey is WJJOWAVMDLBSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)4-5-15-12-7-11(8-13)6-10(3)14-12/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine?
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107752126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).