4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine

C11H19NO — CID 143852914

IUPAC4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
SMILESC=C/C=C(\C=C)COCCCCN
InChIInChI=1S/C11H19NO/c1-3-7-11(4-2)10-13-9-6-5-8-12/h3-4,7H,1-2,5-6,8-10,12H2/b11-7+
InChIKeyQYQKHVIAQLAEPT-YRNVUSSQSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds8

About 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine

4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine (PubChem CID 143852914) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine.

Molecular Properties

Compound Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
PubChem CID143852914
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
SMILESC=C/C=C(\C=C)COCCCCN
InChIInChI=1S/C11H19NO/c1-3-7-11(4-2)10-13-9-6-5-8-12/h3-4,7H,1-2,5-6,8-10,12H2/b11-7+
InChIKeyQYQKHVIAQLAEPT-YRNVUSSQSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine (CID 143852914) is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine.
What is the SMILES notation for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The canonical SMILES for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine is C=C/C=C(\C=C)COCCCCN.
What is the InChIKey of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The InChIKey is QYQKHVIAQLAEPT-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-11(4-2)10-13-9-6-5-8-12/h3-4,7H,1-2,5-6,8-10,12H2/b11-7+.
What are the key properties of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine is sourced from PubChem (CID 143852914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).