2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine

C11H18N2O3 — CID 104560039

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
SMILESCOCCOCCOc1nc(C)ccc1N
InChIInChI=1S/C11H18N2O3/c1-9-3-4-10(12)11(13-9)16-8-7-15-6-5-14-2/h3-4H,5-8,12H2,1-2H3
InChIKeySKMGOCNOQUOLMC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.01
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine (PubChem CID 104560039) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
PubChem CID104560039
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
SMILESCOCCOCCOc1nc(C)ccc1N
InChIInChI=1S/C11H18N2O3/c1-9-3-4-10(12)11(13-9)16-8-7-15-6-5-14-2/h3-4H,5-8,12H2,1-2H3
InChIKeySKMGOCNOQUOLMC-UHFFFAOYSA-N
XLogP1.01
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine (CID 104560039) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine is COCCOCCOc1nc(C)ccc1N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The InChIKey is SKMGOCNOQUOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9-3-4-10(12)11(13-9)16-8-7-15-6-5-14-2/h3-4H,5-8,12H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine has a molecular weight of 226.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine is sourced from PubChem (CID 104560039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).