1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine

C13H22N2O3 — CID 103180750

IUPAC1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OCCOCCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-14-11-12-10-13(4-5-15-12)18-9-8-17-7-3-6-16-2/h4-5,10,14H,3,6-9,11H2,1-2H3
InChIKeyHLKUJPJGMYQKIM-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.23
Rot. Bonds10

About 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine

1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 103180750) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID103180750
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OCCOCCCOC)ccn1
InChIInChI=1S/C13H22N2O3/c1-14-11-12-10-13(4-5-15-12)18-9-8-17-7-3-6-16-2/h4-5,10,14H,3,6-9,11H2,1-2H3
InChIKeyHLKUJPJGMYQKIM-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103402231
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine (CID 103180750) is 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine is CNCc1cc(OCCOCCCOC)ccn1.
What is the InChIKey of 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is HLKUJPJGMYQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-11-12-10-13(4-5-15-12)18-9-8-17-7-3-6-16-2/h4-5,10,14H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine?
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 1.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 103180750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).