[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium

C17H33N2+ — CID 5475712

IUPAC[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium
SMILESCCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC
InChIInChI=1S/C17H33N2/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4/h9-11,16-17H,5-8,12-15H2,1-4H3/q+1
InChIKeyNDCPWZROEQHNSK-UHFFFAOYSA-N
MW265.46 g/mol
LogP4.08
Rot. Bonds11

About [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium

[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium (PubChem CID 5475712) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium.

Molecular Properties

Compound Name[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium
PubChem CID5475712
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium
SMILESCCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC
InChIInChI=1S/C17H33N2/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4/h9-11,16-17H,5-8,12-15H2,1-4H3/q+1
InChIKeyNDCPWZROEQHNSK-UHFFFAOYSA-N
XLogP4.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium?
The IUPAC name of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium (CID 5475712) is [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium.
What is the SMILES notation for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium?
The canonical SMILES for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium is CCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC.
What is the InChIKey of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium?
The InChIKey is NDCPWZROEQHNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4/h9-11,16-17H,5-8,12-15H2,1-4H3/q+1.
What are the key properties of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium?
[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium has a molecular weight of 265.46 g/mol, XLogP of 4.08, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium is sourced from PubChem (CID 5475712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).