N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine

C₉H₁₇N₃ — CID 166858609

About N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine

N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 166858609) has the molecular formula C₉H₁₇N₃ and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

• Compound Name: N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
• PubChem CID: 166858609
• Molecular Formula: C₉H₁₇N₃
• Molecular Weight: 167.26 g/mol
• Exact Mass: 167.14
• IUPAC Name: N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
• SMILES: CC/C=C/CN1CCN/C1=N\C
• InChI: InChI=1S/C9H17N3/c1-3-4-5-7-12-8-6-11-9(12)10-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+
• InChIKey: POIIRWSTWLJCJK-SNAWJCMRSA-N
• XLogP: 0.84
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.26
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?

The IUPAC name of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine (CID 166858609) is N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine.

What is the SMILES notation for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?

The canonical SMILES for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine is CC/C=C/CN1CCN/C1=N\C.

What is the InChIKey of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?

The InChIKey is POIIRWSTWLJCJK-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-5-7-12-8-6-11-9(12)10-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+.

What are the key properties of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?

N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 166858609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166858609 — identifiers, structure, computed properties (public domain)

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