(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine

C30H43F3N2 — CID 126659142

IUPAC(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
SMILESC=C/C=C(\C=C)CNC/C=C\C(=C/C/C=C/CCCCCC)CNC/C=C/C=C(\C=C)C(F)(F)F
InChIInChI=1S/C30H43F3N2/c1-5-9-10-11-12-13-14-15-20-28(21-18-24-35-25-27(7-3)19-6-2)26-34-23-17-16-22-29(8-4)30(31,32)33/h6-8,13-14,16-22,34-35H,2-5,9-12,15,23-26H2,1H3/b14-13+,17-16+,21-18-,27-19+,28-20+,29-22+
InChIKeyBTLNDGIGXJAJAM-WAAXJRCYSA-N
MW488.68 g/mol
LogP8.09
Rot. Bonds20

About (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine

(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine (PubChem CID 126659142) has the molecular formula C30H43F3N2 and a molecular weight of 488.68 g/mol. Its IUPAC name is (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine.

Molecular Properties

Compound Name(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
PubChem CID126659142
Molecular FormulaC30H43F3N2
Molecular Weight488.68 g/mol
Exact Mass488.34
IUPAC Name(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
SMILESC=C/C=C(\C=C)CNC/C=C\C(=C/C/C=C/CCCCCC)CNC/C=C/C=C(\C=C)C(F)(F)F
InChIInChI=1S/C30H43F3N2/c1-5-9-10-11-12-13-14-15-20-28(21-18-24-35-25-27(7-3)19-6-2)26-34-23-17-16-22-29(8-4)30(31,32)33/h6-8,13-14,16-22,34-35H,2-5,9-12,15,23-26H2,1H3/b14-13+,17-16+,21-18-,27-19+,28-20+,29-22+
InChIKeyBTLNDGIGXJAJAM-WAAXJRCYSA-N
XLogP8.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine?
The IUPAC name of (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine (CID 126659142) is (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine.
What is the SMILES notation for (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine?
The canonical SMILES for (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine is C=C/C=C(\C=C)CNC/C=C\C(=C/C/C=C/CCCCCC)CNC/C=C/C=C(\C=C)C(F)(F)F.
What is the InChIKey of (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine?
The InChIKey is BTLNDGIGXJAJAM-WAAXJRCYSA-N. The full InChI is InChI=1S/C30H43F3N2/c1-5-9-10-11-12-13-14-15-20-28(21-18-24-35-25-27(7-3)19-6-2)26-34-23-17-16-22-29(8-4)30(31,32)33/h6-8,13-14,16-22,34-35H,2-5,9-12,15,23-26H2,1H3/b14-13+,17-16+,21-18-,27-19+,28-20+,29-22+.
What are the key properties of (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine?
(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine has a molecular weight of 488.68 g/mol, XLogP of 8.09, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine is sourced from PubChem (CID 126659142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).