2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine

C₉H₁₆N₂ — CID 170732038

About 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine

2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine (PubChem CID 170732038) has the molecular formula C₉H₁₆N₂ and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine.

Molecular Properties

• Compound Name: 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
• PubChem CID: 170732038
• Molecular Formula: C₉H₁₆N₂
• Molecular Weight: 152.24 g/mol
• Exact Mass: 152.13
• IUPAC Name: 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
• SMILES: [H]/N=C/C(=N\CC)C(C)=C(C)C
• InChI: InChI=1S/C9H16N2/c1-5-11-9(6-10)8(4)7(2)3/h6,10H,5H2,1-4H3/b10-6+,11-9+
• InChIKey: RLFUURSMIBAVNF-BBYAVRKXSA-N
• XLogP: 2.45
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.24
LogP ≤ 5	2.45
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 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?

The IUPAC name of 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine (CID 170732038) is 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine.

What is the SMILES notation for 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?

The canonical SMILES for 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine is [H]/N=C/C(=N\CC)C(C)=C(C)C.

What is the InChIKey of 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?

The InChIKey is RLFUURSMIBAVNF-BBYAVRKXSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-9(6-10)8(4)7(2)3/h6,10H,5H2,1-4H3/b10-6+,11-9+.

What are the key properties of 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?

2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine is sourced from PubChem (CID 170732038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170732038 — identifiers, structure, computed properties (public domain)

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