5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine

C13H22N2O3 — CID 104568332

IUPAC5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
SMILESCCCNc1cncc(OCCOCCOC)c1
InChIInChI=1S/C13H22N2O3/c1-3-4-15-12-9-13(11-14-10-12)18-8-7-17-6-5-16-2/h9-11,15H,3-8H2,1-2H3
InChIKeyFKSDXJXLMXMRQS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.95
Rot. Bonds10

About 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine

5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine (PubChem CID 104568332) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
PubChem CID104568332
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
SMILESCCCNc1cncc(OCCOCCOC)c1
InChIInChI=1S/C13H22N2O3/c1-3-4-15-12-9-13(11-14-10-12)18-8-7-17-6-5-16-2/h9-11,15H,3-8H2,1-2H3
InChIKeyFKSDXJXLMXMRQS-UHFFFAOYSA-N
XLogP1.95
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.95
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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Related Compounds

5-butoxy-N-propylpyridin-3-amine
CID 104536219
5-[3-(2-methoxyethoxy)propoxy]-N-methylpyridin-3-amine
CID 103408503
5-(2-cyclopropylethoxy)-N-propylpyridin-3-amine
CID 106207485
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
5-[2-[cyclopropyl(methyl)amino]ethoxy]-N-propylpyridin-3-amine
CID 102741340
N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106451443
4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
CID 104568201
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine (CID 104568332) is 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine is CCCNc1cncc(OCCOCCOC)c1.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine?
The InChIKey is FKSDXJXLMXMRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-4-15-12-9-13(11-14-10-12)18-8-7-17-6-5-16-2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine?
5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine has a molecular weight of 254.33 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine is sourced from PubChem (CID 104568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).