(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine

C₁₇H₃₃NO — CID 163805911

About (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine

(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine (PubChem CID 163805911) has the molecular formula C₁₇H₃₃NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine.

Molecular Properties

• Compound Name: (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
• PubChem CID: 163805911
• Molecular Formula: C₁₇H₃₃NO
• Molecular Weight: 267.46 g/mol
• Exact Mass: 267.26
• IUPAC Name: (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
• SMILES: CCC(C)OC/C=C(\C=C/CC(C)C)C(CC)CN
• InChI: InChI=1S/C17H33NO/c1-6-15(5)19-12-11-17(16(7-2)13-18)10-8-9-14(3)4/h8,10-11,14-16H,6-7,9,12-13,18H2,1-5H3/b10-8-,17-11+
• InChIKey: NJAGAOFACKRJKL-NERVOECZSA-N
• XLogP: 4.32
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.46
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
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 (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?

The IUPAC name of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine (CID 163805911) is (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine.

What is the SMILES notation for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?

The canonical SMILES for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine is CCC(C)OC/C=C(\C=C/CC(C)C)C(CC)CN.

What is the InChIKey of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?

The InChIKey is NJAGAOFACKRJKL-NERVOECZSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-15(5)19-12-11-17(16(7-2)13-18)10-8-9-14(3)4/h8,10-11,14-16H,6-7,9,12-13,18H2,1-5H3/b10-8-,17-11+.

What are the key properties of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?

(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine is sourced from PubChem (CID 163805911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163805911 — identifiers, structure, computed properties (public domain)

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