(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine

C15H25NO — CID 88920479

IUPAC(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C/C)OC(C)C/C=C\CC)CN
InChIInChI=1S/C15H25NO/c1-5-8-9-10-13(4)17-15(7-3)11-14(6-2)12-16/h6-9,11,13H,2,5,10,12,16H2,1,3-4H3/b9-8-,14-11+,15-7+
InChIKeyUDYIQIQIZHSFAD-BAUJUIKOSA-N
MW235.37 g/mol
LogP3.72
Rot. Bonds8

About (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine (PubChem CID 88920479) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
PubChem CID88920479
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C/C)OC(C)C/C=C\CC)CN
InChIInChI=1S/C15H25NO/c1-5-8-9-10-13(4)17-15(7-3)11-14(6-2)12-16/h6-9,11,13H,2,5,10,12,16H2,1,3-4H3/b9-8-,14-11+,15-7+
InChIKeyUDYIQIQIZHSFAD-BAUJUIKOSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine (CID 88920479) is (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine is C=C/C(=C\C(=C/C)OC(C)C/C=C\CC)CN.
What is the InChIKey of (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine?
The InChIKey is UDYIQIQIZHSFAD-BAUJUIKOSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-8-9-10-13(4)17-15(7-3)11-14(6-2)12-16/h6-9,11,13H,2,5,10,12,16H2,1,3-4H3/b9-8-,14-11+,15-7+.
What are the key properties of (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine is sourced from PubChem (CID 88920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).