2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine

C18H25N3O3 — CID 102597171

IUPAC2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine
SMILESCc1ccc(-c2ccc(COCCOCCOCCN)cn2)nc1
InChIInChI=1S/C18H25N3O3/c1-15-2-4-17(20-12-15)18-5-3-16(13-21-18)14-24-11-10-23-9-8-22-7-6-19/h2-5,12-13H,6-11,14,19H2,1H3
InChIKeyKLQRLHHBDOERKO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds11

About 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine (PubChem CID 102597171) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine
PubChem CID102597171
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine
SMILESCc1ccc(-c2ccc(COCCOCCOCCN)cn2)nc1
InChIInChI=1S/C18H25N3O3/c1-15-2-4-17(20-12-15)18-5-3-16(13-21-18)14-24-11-10-23-9-8-22-7-6-19/h2-5,12-13H,6-11,14,19H2,1H3
InChIKeyKLQRLHHBDOERKO-UHFFFAOYSA-N
XLogP1.96
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine (CID 102597171) is 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine is Cc1ccc(-c2ccc(COCCOCCOCCN)cn2)nc1.
What is the InChIKey of 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is KLQRLHHBDOERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-15-2-4-17(20-12-15)18-5-3-16(13-21-18)14-24-11-10-23-9-8-22-7-6-19/h2-5,12-13H,6-11,14,19H2,1H3.
What are the key properties of 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 331.42 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 102597171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).