(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine

C₁₁H₁₈N₂ — CID 147333916

About (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine

(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine (PubChem CID 147333916) has the molecular formula C₁₁H₁₈N₂ and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine.

Molecular Properties

• Compound Name: (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
• PubChem CID: 147333916
• Molecular Formula: C₁₁H₁₈N₂
• Molecular Weight: 178.28 g/mol
• Exact Mass: 178.15
• IUPAC Name: (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
• SMILES: C=NN/C(C=C(C)C)=C(C)/C=C\C
• InChI: InChI=1S/C11H18N2/c1-6-7-10(4)11(13-12-5)8-9(2)3/h6-8,13H,5H2,1-4H3/b7-6-,11-10+
• InChIKey: DCEIVPNOJFDXBZ-JFEAUALZSA-N
• XLogP: 3.01
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.28
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?

The IUPAC name of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine (CID 147333916) is (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine.

What is the SMILES notation for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?

The canonical SMILES for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine is C=NN/C(C=C(C)C)=C(C)/C=C\C.

What is the InChIKey of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?

The InChIKey is DCEIVPNOJFDXBZ-JFEAUALZSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-7-10(4)11(13-12-5)8-9(2)3/h6-8,13H,5H2,1-4H3/b7-6-,11-10+.

What are the key properties of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?

(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine has a molecular weight of 178.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine is sourced from PubChem (CID 147333916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 147333916 — identifiers, structure, computed properties (public domain)

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