tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide

C20H34BrN2+ — CID 54599335

IUPACtris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
SMILESC=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Br-]
InChIInChI=1S/C20H34N2.BrH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;/h7-12H,1-6,13-20H2;1H/q+2;/p-1
InChIKeyVWDJZVMDYZWDRS-UHFFFAOYSA-M
MW382.41 g/mol
LogP0.74
Rot. Bonds15

About tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide

tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide (PubChem CID 54599335) has the molecular formula C20H34BrN2+ and a molecular weight of 382.41 g/mol. Its IUPAC name is tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide.

Molecular Properties

Compound Nametris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
PubChem CID54599335
Molecular FormulaC20H34BrN2+
Molecular Weight382.41 g/mol
Exact Mass381.19
IUPAC Nametris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
SMILESC=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Br-]
InChIInChI=1S/C20H34N2.BrH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;/h7-12H,1-6,13-20H2;1H/q+2;/p-1
InChIKeyVWDJZVMDYZWDRS-UHFFFAOYSA-M
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.74
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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Related Compounds

tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
CID 139884692
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
pentyl-tris(prop-2-enyl)azanium
CID 87393488
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide?
The IUPAC name of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide (CID 54599335) is tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide.
What is the SMILES notation for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide?
The canonical SMILES for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide is C=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Br-].
What is the InChIKey of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide?
The InChIKey is VWDJZVMDYZWDRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H34N2.BrH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;/h7-12H,1-6,13-20H2;1H/q+2;/p-1.
What are the key properties of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide?
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide has a molecular weight of 382.41 g/mol, XLogP of 0.74, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide is sourced from PubChem (CID 54599335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).