(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine

C₁₅H₂₉NO₂ — CID 143043912

About (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine

(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine (PubChem CID 143043912) has the molecular formula C₁₅H₂₉NO₂ and a molecular weight of 255.40 g/mol. Its IUPAC name is (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine.

Molecular Properties

• Compound Name: (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
• PubChem CID: 143043912
• Molecular Formula: C₁₅H₂₉NO₂
• Molecular Weight: 255.40 g/mol
• Exact Mass: 255.22
• IUPAC Name: (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
• SMILES: CCCCN(C)C/C(C)=C(/C/C=C(\C)OC)OC
• InChI: InChI=1S/C15H29NO2/c1-7-8-11-16(4)12-13(2)15(18-6)10-9-14(3)17-5/h9H,7-8,10-12H2,1-6H3/b14-9+,15-13-
• InChIKey: XDPQBGASNDBUOZ-NECJJZFNSA-N
• XLogP: 3.58
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.40
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?

The IUPAC name of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine (CID 143043912) is (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine.

What is the SMILES notation for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?

The canonical SMILES for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine is CCCCN(C)C/C(C)=C(/C/C=C(\C)OC)OC.

What is the InChIKey of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?

The InChIKey is XDPQBGASNDBUOZ-NECJJZFNSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-8-11-16(4)12-13(2)15(18-6)10-9-14(3)17-5/h9H,7-8,10-12H2,1-6H3/b14-9+,15-13-.

What are the key properties of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?

(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 143043912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143043912 — identifiers, structure, computed properties (public domain)

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