2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine

C12H20N2S — CID 103183383

IUPAC2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
SMILESCCCCSCc1ncc(C)c(N)c1C
InChIInChI=1S/C12H20N2S/c1-4-5-6-15-8-11-10(3)12(13)9(2)7-14-11/h7H,4-6,8H2,1-3H3,(H2,13,14)
InChIKeyFEGMHYVYKBRLCV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.31
Rot. Bonds5

About 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine

2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine (PubChem CID 103183383) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
PubChem CID103183383
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
SMILESCCCCSCc1ncc(C)c(N)c1C
InChIInChI=1S/C12H20N2S/c1-4-5-6-15-8-11-10(3)12(13)9(2)7-14-11/h7H,4-6,8H2,1-3H3,(H2,13,14)
InChIKeyFEGMHYVYKBRLCV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine (CID 103183383) is 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine is CCCCSCc1ncc(C)c(N)c1C.
What is the InChIKey of 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The InChIKey is FEGMHYVYKBRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-5-6-15-8-11-10(3)12(13)9(2)7-14-11/h7H,4-6,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103183383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).