N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine

C₁₃H₂₅N₃ — CID 168820021

About N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine

N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 168820021) has the molecular formula C₁₃H₂₅N₃ and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

• Compound Name: N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
• PubChem CID: 168820021
• Molecular Formula: C₁₃H₂₅N₃
• Molecular Weight: 223.36 g/mol
• Exact Mass: 223.20
• IUPAC Name: N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
• SMILES: CC/C=C\CN1CCN(C)/C1=N/C(C)(C)C
• InChI: InChI=1S/C13H25N3/c1-6-7-8-9-16-11-10-15(5)12(16)14-13(2,3)4/h7-8H,6,9-11H2,1-5H3/b8-7-,14-12-
• InChIKey: NLCPWRKNQKYNIW-PYCQNIAVSA-N
• XLogP: 2.35
• TPSA: 18.84 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.36
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
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-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine?

The IUPAC name of N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine (CID 168820021) is N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine.

What is the SMILES notation for N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine?

The canonical SMILES for N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine is CC/C=C\CN1CCN(C)/C1=N/C(C)(C)C.

What is the InChIKey of N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine?

The InChIKey is NLCPWRKNQKYNIW-PYCQNIAVSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-8-9-16-11-10-15(5)12(16)14-13(2,3)4/h7-8H,6,9-11H2,1-5H3/b8-7-,14-12-.

What are the key properties of N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine?

N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 223.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 168820021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168820021 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.