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

C18H34Cl2N2 — CID 139884693

IUPACdiethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
SMILESC=CC[N+](CC)(CC)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C18H34N2.2ClH/c1-7-13-19(11-5,12-6)17-18-20(14-8-2,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2
InChIKeyCRJZCJOTHLXIFT-UHFFFAOYSA-L
MW349.39 g/mol
LogP-2.59
Rot. Bonds13

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

diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride (PubChem CID 139884693) has the molecular formula C18H34Cl2N2 and a molecular weight of 349.39 g/mol. Its IUPAC name is diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride.

Molecular Properties

Compound Namediethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
PubChem CID139884693
Molecular FormulaC18H34Cl2N2
Molecular Weight349.39 g/mol
Exact Mass348.21
IUPAC Namediethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
SMILESC=CC[N+](CC)(CC)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C18H34N2.2ClH/c1-7-13-19(11-5,12-6)17-18-20(14-8-2,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2
InChIKeyCRJZCJOTHLXIFT-UHFFFAOYSA-L
XLogP-2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-2.59
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
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
triethyl(prop-2-enyl)azanium hexafluorophosphate
CID 175350954
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
tributyl(prop-2-enyl)azanium chloride
CID 3024222
pentyl-tris(prop-2-enyl)azanium
CID 87393488
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
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

Frequently Asked Questions

What is the IUPAC name of diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The IUPAC name of diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride (CID 139884693) is diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride.
What is the SMILES notation for diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The canonical SMILES for diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride is C=CC[N+](CC)(CC)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].
What is the InChIKey of diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The InChIKey is CRJZCJOTHLXIFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H34N2.2ClH/c1-7-13-19(11-5,12-6)17-18-20(14-8-2,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2.
What are the key properties of diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride has a molecular weight of 349.39 g/mol, XLogP of -2.59, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride is sourced from PubChem (CID 139884693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).