(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide

C₁₀H₁₈N₂ — CID 166739630

About (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide

(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide (PubChem CID 166739630) has the molecular formula C₁₀H₁₈N₂ and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide.

Molecular Properties

• Compound Name: (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
• PubChem CID: 166739630
• Molecular Formula: C₁₀H₁₈N₂
• Molecular Weight: 166.27 g/mol
• Exact Mass: 166.15
• IUPAC Name: (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
• SMILES: [H]/N=C(C(\C)=C/C)/N(C)C(=C)CC
• InChI: InChI=1S/C10H18N2/c1-6-8(3)10(11)12(5)9(4)7-2/h6,11H,4,7H2,1-3,5H3/b8-6-,11-10+
• InChIKey: PQIPSHMGDOXAMP-FEVLKHHISA-N
• XLogP: 2.79
• TPSA: 27.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.27
LogP ≤ 5	2.79
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 (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?

The IUPAC name of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide (CID 166739630) is (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide.

What is the SMILES notation for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?

The canonical SMILES for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide is [H]/N=C(C(\C)=C/C)/N(C)C(=C)CC.

What is the InChIKey of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?

The InChIKey is PQIPSHMGDOXAMP-FEVLKHHISA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)10(11)12(5)9(4)7-2/h6,11H,4,7H2,1-3,5H3/b8-6-,11-10+.

What are the key properties of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?

(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide is sourced from PubChem (CID 166739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166739630 — identifiers, structure, computed properties (public domain)

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