N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine

C₁₃H₂₂N₂ — CID 156726917

About N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine

N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine (PubChem CID 156726917) has the molecular formula C₁₃H₂₂N₂ and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine.

Molecular Properties

• Compound Name: N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
• PubChem CID: 156726917
• Molecular Formula: C₁₃H₂₂N₂
• Molecular Weight: 206.33 g/mol
• Exact Mass: 206.18
• IUPAC Name: N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
• SMILES: C=N/C(=C\C(=C)C(C)C)N1CCCCC1
• InChI: InChI=1S/C13H22N2/c1-11(2)12(3)10-13(14-4)15-8-6-5-7-9-15/h10-11H,3-9H2,1-2H3/b13-10+
• InChIKey: KTCHMIRPUMTETK-JLHYYAGUSA-N
• XLogP: 3.23
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.33
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine?

The IUPAC name of N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine (CID 156726917) is N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine.

What is the SMILES notation for N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine?

The canonical SMILES for N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine is C=N/C(=C\C(=C)C(C)C)N1CCCCC1.

What is the InChIKey of N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine?

The InChIKey is KTCHMIRPUMTETK-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)12(3)10-13(14-4)15-8-6-5-7-9-15/h10-11H,3-9H2,1-2H3/b13-10+.

What are the key properties of N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine?

N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine is sourced from PubChem (CID 156726917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156726917 — identifiers, structure, computed properties (public domain)

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