2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine

C11H18N2OS — CID 43706143

IUPAC2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine
SMILESCCOc1ncccc1NCCCSC
InChIInChI=1S/C11H18N2OS/c1-3-14-11-10(6-4-7-13-11)12-8-5-9-15-2/h4,6-7,12H,3,5,8-9H2,1-2H3
InChIKeyXGJNLQQAXXFFHV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.65
Rot. Bonds7

About 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine

2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine (PubChem CID 43706143) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine
PubChem CID43706143
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine
SMILESCCOc1ncccc1NCCCSC
InChIInChI=1S/C11H18N2OS/c1-3-14-11-10(6-4-7-13-11)12-8-5-9-15-2/h4,6-7,12H,3,5,8-9H2,1-2H3
InChIKeyXGJNLQQAXXFFHV-UHFFFAOYSA-N
XLogP2.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine (CID 43706143) is 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine is CCOc1ncccc1NCCCSC.
What is the InChIKey of 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine?
The InChIKey is XGJNLQQAXXFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-14-11-10(6-4-7-13-11)12-8-5-9-15-2/h4,6-7,12H,3,5,8-9H2,1-2H3.
What are the key properties of 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine?
2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine has a molecular weight of 226.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine is sourced from PubChem (CID 43706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).