(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine

C₁₂H₂₃N₃ — CID 130320073

About (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine

(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine (PubChem CID 130320073) has the molecular formula C₁₂H₂₃N₃ and a molecular weight of 209.34 g/mol. Its IUPAC name is (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine.

Molecular Properties

• Compound Name: (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
• PubChem CID: 130320073
• Molecular Formula: C₁₂H₂₃N₃
• Molecular Weight: 209.34 g/mol
• Exact Mass: 209.19
• IUPAC Name: (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
• SMILES: CNN/C(C)=C(C)/C(C)=C/C(N)=C(C)C
• InChI: InChI=1S/C12H23N3/c1-8(2)12(13)7-9(3)10(4)11(5)15-14-6/h7,14-15H,13H2,1-6H3/b9-7+,11-10+
• InChIKey: MLOLKZUIHWEAOI-RJECPTDASA-N
• XLogP: 2.20
• TPSA: 50.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.34
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?

The IUPAC name of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine (CID 130320073) is (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine.

What is the SMILES notation for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?

The canonical SMILES for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine is CNN/C(C)=C(C)/C(C)=C/C(N)=C(C)C.

What is the InChIKey of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?

The InChIKey is MLOLKZUIHWEAOI-RJECPTDASA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)12(13)7-9(3)10(4)11(5)15-14-6/h7,14-15H,13H2,1-6H3/b9-7+,11-10+.

What are the key properties of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?

(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine is sourced from PubChem (CID 130320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130320073 — identifiers, structure, computed properties (public domain)

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