N-[2-(methylideneamino)but-1-enyl]methanimine

C₆H₁₀N₂ — CID 123200567

About N-[2-(methylideneamino)but-1-enyl]methanimine

N-[2-(methylideneamino)but-1-enyl]methanimine (PubChem CID 123200567) has the molecular formula C₆H₁₀N₂ and a molecular weight of 110.16 g/mol. Its IUPAC name is N-[2-(methylideneamino)but-1-enyl]methanimine.

Molecular Properties

• Compound Name: N-[2-(methylideneamino)but-1-enyl]methanimine
• PubChem CID: 123200567
• Molecular Formula: C₆H₁₀N₂
• Molecular Weight: 110.16 g/mol
• Exact Mass: 110.08
• IUPAC Name: N-[2-(methylideneamino)but-1-enyl]methanimine
• SMILES: C=NC=C(CC)N=C
• InChI: InChI=1S/C6H10N2/c1-4-6(8-3)5-7-2/h5H,2-4H2,1H3
• InChIKey: QXQRFACBIWEIDT-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	110.16
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
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 N-[2-(methylideneamino)but-1-enyl]methanimine?

The IUPAC name of N-[2-(methylideneamino)but-1-enyl]methanimine (CID 123200567) is N-[2-(methylideneamino)but-1-enyl]methanimine.

What is the SMILES notation for N-[2-(methylideneamino)but-1-enyl]methanimine?

The canonical SMILES for N-[2-(methylideneamino)but-1-enyl]methanimine is C=NC=C(CC)N=C.

What is the InChIKey of N-[2-(methylideneamino)but-1-enyl]methanimine?

The InChIKey is QXQRFACBIWEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(8-3)5-7-2/h5H,2-4H2,1H3.

What are the key properties of N-[2-(methylideneamino)but-1-enyl]methanimine?

N-[2-(methylideneamino)but-1-enyl]methanimine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(methylideneamino)but-1-enyl]methanimine is sourced from PubChem (CID 123200567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123200567 — identifiers, structure, computed properties (public domain)

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