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

C17H31N3 — CID 137053042

IUPAC5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine
SMILESCCCCC/N=C1\N/C(=N/CCCCC)CC=C1CC
InChIInChI=1S/C17H31N3/c1-4-7-9-13-18-16-12-11-15(6-3)17(20-16)19-14-10-8-5-2/h11H,4-10,12-14H2,1-3H3,(H,18,19,20)
InChIKeyTZMPMXRFVKDGCL-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.49
Rot. Bonds9

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

5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine (PubChem CID 137053042) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine.

Molecular Properties

Compound Name5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine
PubChem CID137053042
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine
SMILESCCCCC/N=C1\N/C(=N/CCCCC)CC=C1CC
InChIInChI=1S/C17H31N3/c1-4-7-9-13-18-16-12-11-15(6-3)17(20-16)19-14-10-8-5-2/h11H,4-10,12-14H2,1-3H3,(H,18,19,20)
InChIKeyTZMPMXRFVKDGCL-UHFFFAOYSA-N
XLogP4.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine?
The IUPAC name of 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine (CID 137053042) is 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine.
What is the SMILES notation for 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine?
The canonical SMILES for 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine is CCCCC/N=C1\N/C(=N/CCCCC)CC=C1CC.
What is the InChIKey of 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine?
The InChIKey is TZMPMXRFVKDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-7-9-13-18-16-12-11-15(6-3)17(20-16)19-14-10-8-5-2/h11H,4-10,12-14H2,1-3H3,(H,18,19,20).
What are the key properties of 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine?
5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine has a molecular weight of 277.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine is sourced from PubChem (CID 137053042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).