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

C13H23NO — CID 143227719

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
SMILESC=C/C=C(\C=C)COC(CC)CN(C)C
InChIInChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+
InChIKeyIKGUAXMQKUXMQM-FMIVXFBMSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds8

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

2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine (PubChem CID 143227719) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
PubChem CID143227719
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
SMILESC=C/C=C(\C=C)COC(CC)CN(C)C
InChIInChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+
InChIKeyIKGUAXMQKUXMQM-FMIVXFBMSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine (CID 143227719) is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine is C=C/C=C(\C=C)COC(CC)CN(C)C.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The InChIKey is IKGUAXMQKUXMQM-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-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 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 143227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).