Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine

C₁₅H₃₂N₂ — CID 169104152

About Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine

Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine (PubChem CID 169104152) has the molecular formula C₁₅H₃₂N₂ and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine.

Molecular Properties

• Compound Name: Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
• PubChem CID: 169104152
• Molecular Formula: C₁₅H₃₂N₂
• Molecular Weight: 240.43 g/mol
• Exact Mass: 240.26
• IUPAC Name: ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
• SMILES: C=C/C=N/C=C.CC.CC.CC1CCNCC1
• InChI: InChI=1S/C6H13N.C5H7N.2C2H6/c1-6-2-4-7-5-3-6;1-3-5-6-4-2;2*1-2/h6-7H,2-5H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+
• InChIKey: QFKKZINZVHJAQK-BWVIBOQJSA-N
• XLogP: 4.45
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.43
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
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-ethenylprop-2-en-1-imine;4-methylpiperidine?

The IUPAC name of Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine (CID 169104152) is ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine.

What is the SMILES notation for Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?

The canonical SMILES for Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine is C=C/C=N/C=C.CC.CC.CC1CCNCC1.

What is the InChIKey of Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?

The InChIKey is QFKKZINZVHJAQK-BWVIBOQJSA-N. The full InChI is InChI=1S/C6H13N.C5H7N.2C2H6/c1-6-2-4-7-5-3-6;1-3-5-6-4-2;2*1-2/h6-7H,2-5H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;.

What are the key properties of Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?

Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine has a molecular weight of 240.43 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine is sourced from PubChem (CID 169104152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169104152 — identifiers, structure, computed properties (public domain)

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