4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine

C13H22N2O3 — CID 103405427

IUPAC4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(COCCCOCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-14-13-10-12(4-5-15-13)11-18-7-3-6-17-9-8-16-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,14,15)
InChIKeyOSJCBDGAGLDPPI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.69
Rot. Bonds10

About 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine

4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine (PubChem CID 103405427) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine
PubChem CID103405427
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(COCCCOCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-14-13-10-12(4-5-15-13)11-18-7-3-6-17-9-8-16-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,14,15)
InChIKeyOSJCBDGAGLDPPI-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine (CID 103405427) is 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine is CNc1cc(COCCCOCCOC)ccn1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine?
The InChIKey is OSJCBDGAGLDPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-13-10-12(4-5-15-13)11-18-7-3-6-17-9-8-16-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine?
4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 103405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).