tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium

C22H36N2+2 — CID 5475969

IUPACtris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium
SMILESC=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C22H36N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-14H,1-6,15-22H2/q+2/b14-13+
InChIKeyLPQWSHZCDQSVEG-BUHFOSPRSA-N
MW328.54 g/mol
LogP4.29
Rot. Bonds16

About tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium

tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium (PubChem CID 5475969) has the molecular formula C22H36N2+2 and a molecular weight of 328.54 g/mol. Its IUPAC name is tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium.

Molecular Properties

Compound Nametris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium
PubChem CID5475969
Molecular FormulaC22H36N2+2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Nametris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium
SMILESC=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C22H36N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-14H,1-6,15-22H2/q+2/b14-13+
InChIKeyLPQWSHZCDQSVEG-BUHFOSPRSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium?
The IUPAC name of tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium (CID 5475969) is tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium.
What is the SMILES notation for tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium?
The canonical SMILES for tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium is C=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium?
The InChIKey is LPQWSHZCDQSVEG-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H36N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-14H,1-6,15-22H2/q+2/b14-13+.
What are the key properties of tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium?
tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium has a molecular weight of 328.54 g/mol, XLogP of 4.29, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium is sourced from PubChem (CID 5475969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).