(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine

C₁₃H₂₃NO — CID 138546688

About (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine

(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine (PubChem CID 138546688) has the molecular formula C₁₃H₂₃NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine.

Molecular Properties

• Compound Name: (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
• PubChem CID: 138546688
• Molecular Formula: C₁₃H₂₃NO
• Molecular Weight: 209.33 g/mol
• Exact Mass: 209.18
• IUPAC Name: (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
• SMILES: C=C/C=C\C(=C/C)CN(CC)CCOC
• InChI: InChI=1S/C13H23NO/c1-5-8-9-13(6-2)12-14(7-3)10-11-15-4/h5-6,8-9H,1,7,10-12H2,2-4H3/b9-8-,13-6+
• InChIKey: KAWSEDLGBSVRNT-GFBXJKNCSA-N
• XLogP: 2.64
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.33
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?

The IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine (CID 138546688) is (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine.

What is the SMILES notation for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?

The canonical SMILES for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CN(CC)CCOC.

What is the InChIKey of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?

The InChIKey is KAWSEDLGBSVRNT-GFBXJKNCSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-9-13(6-2)12-14(7-3)10-11-15-4/h5-6,8-9H,1,7,10-12H2,2-4H3/b9-8-,13-6+.

What are the key properties of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?

(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 138546688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138546688 — identifiers, structure, computed properties (public domain)

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