N'-(3-methylbut-2-en-2-yl)butanimidamide

C₉H₁₈N₂ — CID 145418069

About N'-(3-methylbut-2-en-2-yl)butanimidamide

N'-(3-methylbut-2-en-2-yl)butanimidamide (PubChem CID 145418069) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(3-methylbut-2-en-2-yl)butanimidamide.

Molecular Properties

• Compound Name: N'-(3-methylbut-2-en-2-yl)butanimidamide
• PubChem CID: 145418069
• Molecular Formula: C₉H₁₈N₂
• Molecular Weight: 154.26 g/mol
• Exact Mass: 154.15
• IUPAC Name: N'-(3-methylbut-2-en-2-yl)butanimidamide
• SMILES: CCC/C(N)=N\C(C)=C(C)C
• InChI: InChI=1S/C9H18N2/c1-5-6-9(10)11-8(4)7(2)3/h5-6H2,1-4H3,(H2,10,11)
• InChIKey: GBXXKODJSPFGBP-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-en-2-yl)butanimidamide?

The IUPAC name of N'-(3-methylbut-2-en-2-yl)butanimidamide (CID 145418069) is N'-(3-methylbut-2-en-2-yl)butanimidamide.

What is the SMILES notation for N'-(3-methylbut-2-en-2-yl)butanimidamide?

The canonical SMILES for N'-(3-methylbut-2-en-2-yl)butanimidamide is CCC/C(N)=N\C(C)=C(C)C.

What is the InChIKey of N'-(3-methylbut-2-en-2-yl)butanimidamide?

The InChIKey is GBXXKODJSPFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(10)11-8(4)7(2)3/h5-6H2,1-4H3,(H2,10,11).

What are the key properties of N'-(3-methylbut-2-en-2-yl)butanimidamide?

N'-(3-methylbut-2-en-2-yl)butanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-methylbut-2-en-2-yl)butanimidamide is sourced from PubChem (CID 145418069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145418069 — identifiers, structure, computed properties (public domain)

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