5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine

C13H22N2O2 — CID 62193134

IUPAC5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COCCCOC)cn1
InChIInChI=1S/C13H22N2O2/c1-3-7-14-13-6-5-12(10-15-13)11-17-9-4-8-16-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeyWWWFVBANSOHICV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.46
Rot. Bonds9

About 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine

5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine (PubChem CID 62193134) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
PubChem CID62193134
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COCCCOC)cn1
InChIInChI=1S/C13H22N2O2/c1-3-7-14-13-6-5-12(10-15-13)11-17-9-4-8-16-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeyWWWFVBANSOHICV-UHFFFAOYSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.46
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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Related Compounds

5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
5-(2-ethylhexoxymethyl)-N-propylpyridin-2-amine
CID 63486716
[5-(butoxymethyl)-2-pyridinyl]hydrazine
CID 62245667
5-[(4-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62194753
N-propyl-5-(thiophen-2-ylmethoxymethyl)pyridin-2-amine
CID 55044939
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442
4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine
CID 63484948
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183338
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;methane
CID 160536663
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride
CID 162339864

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine (CID 62193134) is 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine is CCCNc1ccc(COCCCOC)cn1.
What is the InChIKey of 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine?
The InChIKey is WWWFVBANSOHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-14-13-6-5-12(10-15-13)11-17-9-4-8-16-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine?
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62193134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).