2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine

C₁₂H₂₄N₂ — CID 174639777

About 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine

2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine (PubChem CID 174639777) has the molecular formula C₁₂H₂₄N₂ and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine.

Molecular Properties

• Compound Name: 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
• PubChem CID: 174639777
• Molecular Formula: C₁₂H₂₄N₂
• Molecular Weight: 196.34 g/mol
• Exact Mass: 196.19
• IUPAC Name: 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
• SMILES: [H]/N=C(/C1CCNCC1)C(CC)C(C)C
• InChI: InChI=1S/C12H24N2/c1-4-11(9(2)3)12(13)10-5-7-14-8-6-10/h9-11,13-14H,4-8H2,1-3H3/b13-12-
• InChIKey: OEQBBJUZEUEUTK-SEYXRHQNSA-N
• XLogP: 2.69
• TPSA: 35.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.34
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
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 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?

The IUPAC name of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine (CID 174639777) is 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine.

What is the SMILES notation for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?

The canonical SMILES for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine is [H]/N=C(/C1CCNCC1)C(CC)C(C)C.

What is the InChIKey of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?

The InChIKey is OEQBBJUZEUEUTK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-11(9(2)3)12(13)10-5-7-14-8-6-10/h9-11,13-14H,4-8H2,1-3H3/b13-12-.

What are the key properties of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?

2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine has a molecular weight of 196.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine is sourced from PubChem (CID 174639777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174639777 — identifiers, structure, computed properties (public domain)

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