Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine

C₁₁H₂₀N₂ — CID 143785621

About Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine

Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (PubChem CID 143785621) has the molecular formula C₁₁H₂₀N₂ and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.

Molecular Properties

• Compound Name: Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
• PubChem CID: 143785621
• Molecular Formula: C₁₁H₂₀N₂
• Molecular Weight: 180.29 g/mol
• Exact Mass: 180.16
• IUPAC Name: ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
• SMILES: C=CC1=C(N=C)CCN(C)C1.CC
• InChI: InChI=1S/C9H14N2.C2H6/c1-4-8-7-11(3)6-5-9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3
• InChIKey: JBLXXOMRQNOPDU-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.29
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?

The IUPAC name of Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (CID 143785621) is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.

What is the SMILES notation for Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?

The canonical SMILES for Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine is C=CC1=C(N=C)CCN(C)C1.CC.

What is the InChIKey of Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?

The InChIKey is JBLXXOMRQNOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-8-7-11(3)6-5-9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3.

What are the key properties of Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?

Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine is sourced from PubChem (CID 143785621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143785621 — identifiers, structure, computed properties (public domain)

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