(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine

C₁₀H₁₆N₂ — CID 169248898

About (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine

(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine (PubChem CID 169248898) has the molecular formula C₁₀H₁₆N₂ and a molecular weight of 164.25 g/mol. Its IUPAC name is (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine.

Molecular Properties

• Compound Name: (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine
• PubChem CID: 169248898
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25 g/mol
• Exact Mass: 164.13
• IUPAC Name: (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine
• SMILES: CC/N=C1\CC/C(C)=C\C=C/N1
• InChI: InChI=1S/C10H16N2/c1-3-11-10-7-6-9(2)5-4-8-12-10/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)/b8-4-,9-5-
• InChIKey: QFAPJZGMEWHGQE-XEQVNJCQSA-N
• XLogP: 2.25
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	164.25
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?

The IUPAC name of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine (CID 169248898) is (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine.

What is the SMILES notation for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?

The canonical SMILES for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine is CC/N=C1\CC/C(C)=C\C=C/N1.

What is the InChIKey of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?

The InChIKey is QFAPJZGMEWHGQE-XEQVNJCQSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-11-10-7-6-9(2)5-4-8-12-10/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)/b8-4-,9-5-.

What are the key properties of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?

(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine is sourced from PubChem (CID 169248898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169248898 — identifiers, structure, computed properties (public domain)

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