(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine

C₁₀H₁₈N₂ — CID 144877715

About (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine

(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine (PubChem CID 144877715) has the molecular formula C₁₀H₁₈N₂ and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine.

Molecular Properties

• Compound Name: (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
• PubChem CID: 144877715
• Molecular Formula: C₁₀H₁₈N₂
• Molecular Weight: 166.27 g/mol
• Exact Mass: 166.15
• IUPAC Name: (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
• SMILES: [H]/N=C/C(/C=C/CC(C)C)=C(/C)N
• InChI: InChI=1S/C10H18N2/c1-8(2)5-4-6-10(7-11)9(3)12/h4,6-8,11H,5,12H2,1-3H3/b6-4+,10-9-,11-7+
• InChIKey: DNNOXCHEUUHBML-VJXFAQNQSA-N
• XLogP: 2.47
• TPSA: 49.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.27
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?

The IUPAC name of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine (CID 144877715) is (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine.

What is the SMILES notation for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?

The canonical SMILES for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine is [H]/N=C/C(/C=C/CC(C)C)=C(/C)N.

What is the InChIKey of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?

The InChIKey is DNNOXCHEUUHBML-VJXFAQNQSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)5-4-6-10(7-11)9(3)12/h4,6-8,11H,5,12H2,1-3H3/b6-4+,10-9-,11-7+.

What are the key properties of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?

(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine is sourced from PubChem (CID 144877715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144877715 — identifiers, structure, computed properties (public domain)

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