[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium

C24H43N2+ — CID 118120033

IUPAC[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
SMILESC=C(/C=C\CC(=C/CCC=[N+](CC)CC)/C(C)=C/CCC)N(CC)CC
InChIInChI=1S/C24H43N2/c1-8-13-17-22(6)24(19-14-15-21-25(9-2)10-3)20-16-18-23(7)26(11-4)12-5/h16-19,21H,7-15,20H2,1-6H3/q+1/b18-16-,22-17+,24-19-
InChIKeyQGKZNHOQRLLFIC-JFJMFPNKSA-N
MW359.62 g/mol
LogP6.36
Rot. Bonds14

About [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium

[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium (PubChem CID 118120033) has the molecular formula C24H43N2+ and a molecular weight of 359.62 g/mol. Its IUPAC name is [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium.

Molecular Properties

Compound Name[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
PubChem CID118120033
Molecular FormulaC24H43N2+
Molecular Weight359.62 g/mol
Exact Mass359.34
IUPAC Name[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
SMILESC=C(/C=C\CC(=C/CCC=[N+](CC)CC)/C(C)=C/CCC)N(CC)CC
InChIInChI=1S/C24H43N2/c1-8-13-17-22(6)24(19-14-15-21-25(9-2)10-3)20-16-18-23(7)26(11-4)12-5/h16-19,21H,7-15,20H2,1-6H3/q+1/b18-16-,22-17+,24-19-
InChIKeyQGKZNHOQRLLFIC-JFJMFPNKSA-N
XLogP6.36
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.62
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium?
The IUPAC name of [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium (CID 118120033) is [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium.
What is the SMILES notation for [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium?
The canonical SMILES for [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium is C=C(/C=C\CC(=C/CCC=[N+](CC)CC)/C(C)=C/CCC)N(CC)CC.
What is the InChIKey of [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium?
The InChIKey is QGKZNHOQRLLFIC-JFJMFPNKSA-N. The full InChI is InChI=1S/C24H43N2/c1-8-13-17-22(6)24(19-14-15-21-25(9-2)10-3)20-16-18-23(7)26(11-4)12-5/h16-19,21H,7-15,20H2,1-6H3/q+1/b18-16-,22-17+,24-19-.
What are the key properties of [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium?
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium has a molecular weight of 359.62 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium is sourced from PubChem (CID 118120033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).