N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine

C₁₀H₁₇N — CID 91047286

About N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine

N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine (PubChem CID 91047286) has the molecular formula C₁₀H₁₇N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine.

Molecular Properties

• Compound Name: N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
• PubChem CID: 91047286
• Molecular Formula: C₁₀H₁₇N
• Molecular Weight: 151.25 g/mol
• Exact Mass: 151.14
• IUPAC Name: N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
• SMILES: C=C(/C=N/C(=C)C(C)C)CC
• InChI: InChI=1S/C10H17N/c1-6-9(4)7-11-10(5)8(2)3/h7-8H,4-6H2,1-3H3/b11-7+
• InChIKey: HHHBBNIBYNKMET-YRNVUSSQSA-N
• XLogP: 3.19
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	151.25
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine?

The IUPAC name of N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine (CID 91047286) is N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine.

What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine?

The canonical SMILES for N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine is C=C(/C=N/C(=C)C(C)C)CC.

What is the InChIKey of N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine?

The InChIKey is HHHBBNIBYNKMET-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N/c1-6-9(4)7-11-10(5)8(2)3/h7-8H,4-6H2,1-3H3/b11-7+.

What are the key properties of N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine?

N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine is sourced from PubChem (CID 91047286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91047286 — identifiers, structure, computed properties (public domain)

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