2-N,3-N-dipentylpyridine-2,3-diimine

C15H25N3 — CID 68572089

IUPAC2-N,3-N-dipentylpyridine-2,3-diimine
SMILESCCCCC/N=C1\N=CC=C\C1=N/CCCCC
InChIInChI=1S/C15H25N3/c1-3-5-7-11-16-14-10-9-13-18-15(14)17-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3/b16-14+,17-15-
InChIKeyZQNUGGXFDKWMOH-GGTPAPDOSA-N
MW247.39 g/mol
LogP3.85
Rot. Bonds8

About 2-N,3-N-dipentylpyridine-2,3-diimine

2-N,3-N-dipentylpyridine-2,3-diimine (PubChem CID 68572089) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N,3-N-dipentylpyridine-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-dipentylpyridine-2,3-diimine
PubChem CID68572089
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N,3-N-dipentylpyridine-2,3-diimine
SMILESCCCCC/N=C1\N=CC=C\C1=N/CCCCC
InChIInChI=1S/C15H25N3/c1-3-5-7-11-16-14-10-9-13-18-15(14)17-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3/b16-14+,17-15-
InChIKeyZQNUGGXFDKWMOH-GGTPAPDOSA-N
XLogP3.85
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dipentylpyridine-2,3-diimine?
The IUPAC name of 2-N,3-N-dipentylpyridine-2,3-diimine (CID 68572089) is 2-N,3-N-dipentylpyridine-2,3-diimine.
What is the SMILES notation for 2-N,3-N-dipentylpyridine-2,3-diimine?
The canonical SMILES for 2-N,3-N-dipentylpyridine-2,3-diimine is CCCCC/N=C1\N=CC=C\C1=N/CCCCC.
What is the InChIKey of 2-N,3-N-dipentylpyridine-2,3-diimine?
The InChIKey is ZQNUGGXFDKWMOH-GGTPAPDOSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-5-7-11-16-14-10-9-13-18-15(14)17-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3/b16-14+,17-15-.
What are the key properties of 2-N,3-N-dipentylpyridine-2,3-diimine?
2-N,3-N-dipentylpyridine-2,3-diimine has a molecular weight of 247.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dipentylpyridine-2,3-diimine is sourced from PubChem (CID 68572089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).