methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide

C18H34Br2N2 — CID 174242463

IUPACmethyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
SMILESC=CC[N+](C)(CC=C)CCCC[N+](C)(CC=C)CC=C.[Br-].[Br-]
InChIInChI=1S/C18H34N2.2BrH/c1-7-13-19(5,14-8-2)17-11-12-18-20(6,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2
InChIKeyRLAZXYGSSGNVJD-UHFFFAOYSA-L
MW438.29 g/mol
LogP-2.59
Rot. Bonds13

About methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide

methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide (PubChem CID 174242463) has the molecular formula C18H34Br2N2 and a molecular weight of 438.29 g/mol. Its IUPAC name is methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide.

Molecular Properties

Compound Namemethyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
PubChem CID174242463
Molecular FormulaC18H34Br2N2
Molecular Weight438.29 g/mol
Exact Mass436.11
IUPAC Namemethyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
SMILESC=CC[N+](C)(CC=C)CCCC[N+](C)(CC=C)CC=C.[Br-].[Br-]
InChIInChI=1S/C18H34N2.2BrH/c1-7-13-19(5,14-8-2)17-11-12-18-20(6,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2
InChIKeyRLAZXYGSSGNVJD-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 ≤ 500438.29
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide with MolForge

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

Launch Full Analysis

Related Compounds

hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
CID 123622999
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654
3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
CID 87275045
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
4-aminobutyl-(3-hydroxypropyl)-methyl-prop-2-enylazanium chloride
CID 174989069
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
(11-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-methyl-bis(prop-2-enyl)azanium
CID 11693332
dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
hexyl-dimethyl-prop-2-enylazanium
CID 123825197
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
dodecyl-methyl-(2-phenylethyl)-prop-2-enylazanium
CID 174758443

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide?
The IUPAC name of methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide (CID 174242463) is methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide.
What is the SMILES notation for methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide?
The canonical SMILES for methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide is C=CC[N+](C)(CC=C)CCCC[N+](C)(CC=C)CC=C.[Br-].[Br-].
What is the InChIKey of methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide?
The InChIKey is RLAZXYGSSGNVJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H34N2.2BrH/c1-7-13-19(5,14-8-2)17-11-12-18-20(6,15-9-3)16-10-4;;/h7-10H,1-4,11-18H2,5-6H3;2*1H/q+2;;/p-2.
What are the key properties of methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide?
methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide has a molecular weight of 438.29 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 methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide is sourced from PubChem (CID 174242463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).