(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine

C₁₂H₂₁NO — CID 143423415

About (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine

(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine (PubChem CID 143423415) has the molecular formula C₁₂H₂₁NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine.

Molecular Properties

• Compound Name: (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine
• PubChem CID: 143423415
• Molecular Formula: C₁₂H₂₁NO
• Molecular Weight: 195.31 g/mol
• Exact Mass: 195.16
• IUPAC Name: (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine
• SMILES: C=C/C(=C\C=C(/CC)N(C)CC)OC
• InChI: InChI=1S/C12H21NO/c1-6-11(13(4)8-3)9-10-12(7-2)14-5/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,12-10+
• InChIKey: AFXHIUHHTYCZQG-WGDLNXRISA-N
• XLogP: 2.95
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.31
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?

The IUPAC name of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine (CID 143423415) is (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine.

What is the SMILES notation for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?

The canonical SMILES for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/CC)N(C)CC)OC.

What is the InChIKey of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?

The InChIKey is AFXHIUHHTYCZQG-WGDLNXRISA-N. The full InChI is InChI=1S/C12H21NO/c1-6-11(13(4)8-3)9-10-12(7-2)14-5/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,12-10+.

What are the key properties of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?

(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 143423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143423415 — identifiers, structure, computed properties (public domain)

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