tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride

C21H36Cl2N2 — CID 139884692

IUPACtris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
SMILESC=CC[N+](CC=C)(CC=C)CCC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C21H36N2.2ClH/c1-7-14-22(15-8-2,16-9-3)20-13-21-23(17-10-4,18-11-5)19-12-6;;/h7-12H,1-6,13-21H2;2*1H/q+2;;/p-2
InChIKeyMFTAAAUXONWWKH-UHFFFAOYSA-L
MW387.44 g/mol
LogP-1.87
Rot. Bonds16

About tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride

tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride (PubChem CID 139884692) has the molecular formula C21H36Cl2N2 and a molecular weight of 387.44 g/mol. Its IUPAC name is tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride.

Molecular Properties

Compound Nametris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
PubChem CID139884692
Molecular FormulaC21H36Cl2N2
Molecular Weight387.44 g/mol
Exact Mass386.23
IUPAC Nametris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
SMILESC=CC[N+](CC=C)(CC=C)CCC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C21H36N2.2ClH/c1-7-14-22(15-8-2,16-9-3)20-13-21-23(17-10-4,18-11-5)19-12-6;;/h7-12H,1-6,13-21H2;2*1H/q+2;;/p-2
InChIKeyMFTAAAUXONWWKH-UHFFFAOYSA-L
XLogP-1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-1.87
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)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
tributyl(prop-2-enyl)azanium chloride
CID 3024222
pentyl-tris(prop-2-enyl)azanium
CID 87393488
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
CID 88647511
bis(prop-2-enyl)-di(undecyl)azanium
CID 101038500

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride?
The IUPAC name of tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride (CID 139884692) is tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride.
What is the SMILES notation for tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride?
The canonical SMILES for tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride is C=CC[N+](CC=C)(CC=C)CCC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].
What is the InChIKey of tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride?
The InChIKey is MFTAAAUXONWWKH-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H36N2.2ClH/c1-7-14-22(15-8-2,16-9-3)20-13-21-23(17-10-4,18-11-5)19-12-6;;/h7-12H,1-6,13-21H2;2*1H/q+2;;/p-2.
What are the key properties of tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride?
tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride has a molecular weight of 387.44 g/mol, XLogP of -1.87, 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)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride is sourced from PubChem (CID 139884692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).