4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine

C13H22N2O3 — CID 104568201

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cc(OCCOCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-3-5-14-13-11-12(4-6-15-13)18-10-9-17-8-7-16-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyMBHQNYHXOJPPBV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.95
Rot. Bonds10

About 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine

4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine (PubChem CID 104568201) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
PubChem CID104568201
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cc(OCCOCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-3-5-14-13-11-12(4-6-15-13)18-10-9-17-8-7-16-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyMBHQNYHXOJPPBV-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

4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
CID 104568332
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103402231
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-N-propylpyridine-2,4-diamine
CID 113367615
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine (CID 104568201) is 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine is CCCNc1cc(OCCOCCOC)ccn1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine?
The InChIKey is MBHQNYHXOJPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-5-14-13-11-12(4-6-15-13)18-10-9-17-8-7-16-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine?
4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-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 4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine is sourced from PubChem (CID 104568201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).