2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine

C15H27N3 — CID 137053045

IUPAC2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
SMILESCCCC/N=C1\N/C(=N/CCCC)CC=C1CC
InChIInChI=1S/C15H27N3/c1-4-7-11-16-14-10-9-13(6-3)15(18-14)17-12-8-5-2/h9H,4-8,10-12H2,1-3H3,(H,16,17,18)
InChIKeyAZHOOYWSMQLRKH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds7

About 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine

2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine (PubChem CID 137053045) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine.

Molecular Properties

Compound Name2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
PubChem CID137053045
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
SMILESCCCC/N=C1\N/C(=N/CCCC)CC=C1CC
InChIInChI=1S/C15H27N3/c1-4-7-11-16-14-10-9-13(6-3)15(18-14)17-12-8-5-2/h9H,4-8,10-12H2,1-3H3,(H,16,17,18)
InChIKeyAZHOOYWSMQLRKH-UHFFFAOYSA-N
XLogP3.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine?
The IUPAC name of 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine (CID 137053045) is 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine.
What is the SMILES notation for 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine?
The canonical SMILES for 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine is CCCC/N=C1\N/C(=N/CCCC)CC=C1CC.
What is the InChIKey of 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine?
The InChIKey is AZHOOYWSMQLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-11-16-14-10-9-13(6-3)15(18-14)17-12-8-5-2/h9H,4-8,10-12H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine?
2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine is sourced from PubChem (CID 137053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).