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

C17H33ClN2O4 — CID 6433808

IUPAC[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate
SMILESCCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H33N2.ClHO4/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4;2-1(3,4)5/h9-11,16-17H,5-8,12-15H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWXVVDXRFHVTKKE-UHFFFAOYSA-M
MW364.91 g/mol
LogP-0.67
Rot. Bonds11

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

[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate (PubChem CID 6433808) has the molecular formula C17H33ClN2O4 and a molecular weight of 364.91 g/mol. Its IUPAC name is [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate.

Molecular Properties

Compound Name[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate
PubChem CID6433808
Molecular FormulaC17H33ClN2O4
Molecular Weight364.91 g/mol
Exact Mass364.21
IUPAC Name[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate
SMILESCCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H33N2.ClHO4/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4;2-1(3,4)5/h9-11,16-17H,5-8,12-15H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWXVVDXRFHVTKKE-UHFFFAOYSA-M
XLogP-0.67
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.91
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate?
The IUPAC name of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate (CID 6433808) is [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate.
What is the SMILES notation for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate?
The canonical SMILES for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate is CCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate?
The InChIKey is WXVVDXRFHVTKKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H33N2.ClHO4/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4;2-1(3,4)5/h9-11,16-17H,5-8,12-15H2,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate?
[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate has a molecular weight of 364.91 g/mol, XLogP of -0.67, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium perchlorate is sourced from PubChem (CID 6433808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).