Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

C₁₇H₃₂N₂O — CID 142167681

About Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (PubChem CID 142167681) has the molecular formula C₁₇H₃₂N₂O and a molecular weight of 280.46 g/mol. Its IUPAC name is ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.

Molecular Properties

• Compound Name: Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
• PubChem CID: 142167681
• Molecular Formula: C₁₇H₃₂N₂O
• Molecular Weight: 280.46 g/mol
• Exact Mass: 280.25
• IUPAC Name: ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
• SMILES: C=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.CC
• InChI: InChI=1S/C15H26N2O.C2H6/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13;1-2/h6,13,16-17H,2-3,5,7-11H2,1,4H3;1-2H3/b15-14-
• InChIKey: OTWIPSIJIYCPDR-BGWNKZQTSA-N
• XLogP: 3.96
• TPSA: 33.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.46
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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 Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?

The IUPAC name of Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (CID 142167681) is ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.

What is the SMILES notation for Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?

The canonical SMILES for Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is C=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.CC.

What is the InChIKey of Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?

The InChIKey is OTWIPSIJIYCPDR-BGWNKZQTSA-N. The full InChI is InChI=1S/C15H26N2O.C2H6/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13;1-2/h6,13,16-17H,2-3,5,7-11H2,1,4H3;1-2H3/b15-14-;.

What are the key properties of Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?

Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine has a molecular weight of 280.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is sourced from PubChem (CID 142167681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142167681 — identifiers, structure, computed properties (public domain)

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