6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine

C10H16N2S — CID 166999426

IUPAC6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine
SMILESCSNc1ccc(CC(C)C)nc1
InChIInChI=1S/C10H16N2S/c1-8(2)6-9-4-5-10(7-11-9)12-13-3/h4-5,7-8,12H,6H2,1-3H3
InChIKeyPJXKUQNWLMRMHN-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.97
Rot. Bonds4

About 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine

6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine (PubChem CID 166999426) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine
PubChem CID166999426
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine
SMILESCSNc1ccc(CC(C)C)nc1
InChIInChI=1S/C10H16N2S/c1-8(2)6-9-4-5-10(7-11-9)12-13-3/h4-5,7-8,12H,6H2,1-3H3
InChIKeyPJXKUQNWLMRMHN-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine?
The IUPAC name of 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine (CID 166999426) is 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine.
What is the SMILES notation for 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine?
The canonical SMILES for 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine is CSNc1ccc(CC(C)C)nc1.
What is the InChIKey of 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine?
The InChIKey is PJXKUQNWLMRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)6-9-4-5-10(7-11-9)12-13-3/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine?
6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine has a molecular weight of 196.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-methylsulfanylpyridin-3-amine is sourced from PubChem (CID 166999426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).