4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine

C₁₁H₂₀N₂ — CID 123614076

About 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine

4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine (PubChem CID 123614076) has the molecular formula C₁₁H₂₀N₂ and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine.

Molecular Properties

• Compound Name: 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
• PubChem CID: 123614076
• Molecular Formula: C₁₁H₂₀N₂
• Molecular Weight: 180.29 g/mol
• Exact Mass: 180.16
• IUPAC Name: 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
• SMILES: CC=C1/C(=N/C)CNC1(C)C(C)C
• InChI: InChI=1S/C11H20N2/c1-6-9-10(12-5)7-13-11(9,4)8(2)3/h6,8,13H,7H2,1-5H3/b9-6?,12-10+
• InChIKey: DYMFOYKKLGVCDA-GEKSPHCTSA-N
• XLogP: 2.02
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.29
LogP ≤ 5	2.02
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 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?

The IUPAC name of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine (CID 123614076) is 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine.

What is the SMILES notation for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?

The canonical SMILES for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine is CC=C1/C(=N/C)CNC1(C)C(C)C.

What is the InChIKey of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?

The InChIKey is DYMFOYKKLGVCDA-GEKSPHCTSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9-10(12-5)7-13-11(9,4)8(2)3/h6,8,13H,7H2,1-5H3/b9-6?,12-10+.

What are the key properties of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?

4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine is sourced from PubChem (CID 123614076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123614076 — identifiers, structure, computed properties (public domain)

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