2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine

C18H26N4O2 — CID 169173385

IUPAC2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
SMILESCNCc1cccc(CNCCOCc2cccc(COC)n2)n1
InChIInChI=1S/C18H26N4O2/c1-19-11-15-5-3-6-16(21-15)12-20-9-10-24-14-18-8-4-7-17(22-18)13-23-2/h3-8,19-20H,9-14H2,1-2H3
InChIKeyYNESWPZFSBXXPL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.65
Rot. Bonds11

About 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine

2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 169173385) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID169173385
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
SMILESCNCc1cccc(CNCCOCc2cccc(COC)n2)n1
InChIInChI=1S/C18H26N4O2/c1-19-11-15-5-3-6-16(21-15)12-20-9-10-24-14-18-8-4-7-17(22-18)13-23-2/h3-8,19-20H,9-14H2,1-2H3
InChIKeyYNESWPZFSBXXPL-UHFFFAOYSA-N
XLogP1.65
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine (CID 169173385) is 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine is CNCc1cccc(CNCCOCc2cccc(COC)n2)n1.
What is the InChIKey of 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is YNESWPZFSBXXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-19-11-15-5-3-6-16(21-15)12-20-9-10-24-14-18-8-4-7-17(22-18)13-23-2/h3-8,19-20H,9-14H2,1-2H3.
What are the key properties of 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine?
2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 330.43 g/mol, XLogP of 1.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 169173385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).