(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine

C₁₀H₁₇NO — CID 143256814

About (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine

(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine (PubChem CID 143256814) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine.

Molecular Properties

• Compound Name: (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
• PubChem CID: 143256814
• Molecular Formula: C₁₀H₁₇NO
• Molecular Weight: 167.25 g/mol
• Exact Mass: 167.13
• IUPAC Name: (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
• SMILES: C/C=C(C)\C=C(N)/C(=C\C)OC
• InChI: InChI=1S/C10H17NO/c1-5-8(3)7-9(11)10(6-2)12-4/h5-7H,11H2,1-4H3/b8-5-,9-7+,10-6+
• InChIKey: KJVGOWHUCJYMLD-WXDJVTBLSA-N
• XLogP: 2.35
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
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 (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?

The IUPAC name of (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine (CID 143256814) is (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine.

What is the SMILES notation for (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?

The canonical SMILES for (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine is C/C=C(C)\C=C(N)/C(=C\C)OC.

What is the InChIKey of (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?

The InChIKey is KJVGOWHUCJYMLD-WXDJVTBLSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8(3)7-9(11)10(6-2)12-4/h5-7H,11H2,1-4H3/b8-5-,9-7+,10-6+.

What are the key properties of (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine?

(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 143256814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143256814 — identifiers, structure, computed properties (public domain)

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