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

C19H35N3 — CID 137053043

IUPAC5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine
SMILESCCCCCC/N=C1\N/C(=N/CCCCCC)CC=C1CC
InChIInChI=1S/C19H35N3/c1-4-7-9-11-15-20-18-14-13-17(6-3)19(22-18)21-16-12-10-8-5-2/h13H,4-12,14-16H2,1-3H3,(H,20,21,22)
InChIKeyXBKDNNNPESCRLY-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.27
Rot. Bonds11

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

5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine (PubChem CID 137053043) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine.

Molecular Properties

Compound Name5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine
PubChem CID137053043
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine
SMILESCCCCCC/N=C1\N/C(=N/CCCCCC)CC=C1CC
InChIInChI=1S/C19H35N3/c1-4-7-9-11-15-20-18-14-13-17(6-3)19(22-18)21-16-12-10-8-5-2/h13H,4-12,14-16H2,1-3H3,(H,20,21,22)
InChIKeyXBKDNNNPESCRLY-UHFFFAOYSA-N
XLogP5.27
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.27
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-dihexyl-3H-pyridine-2,6-diimine?
The IUPAC name of 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine (CID 137053043) is 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine.
What is the SMILES notation for 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine?
The canonical SMILES for 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine is CCCCCC/N=C1\N/C(=N/CCCCCC)CC=C1CC.
What is the InChIKey of 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine?
The InChIKey is XBKDNNNPESCRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-4-7-9-11-15-20-18-14-13-17(6-3)19(22-18)21-16-12-10-8-5-2/h13H,4-12,14-16H2,1-3H3,(H,20,21,22).
What are the key properties of 5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine?
5-ethyl-2-N,6-N-dihexyl-3H-pyridine-2,6-diimine has a molecular weight of 305.51 g/mol, XLogP of 5.27, 11 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-dihexyl-3H-pyridine-2,6-diimine is sourced from PubChem (CID 137053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).