dodecyl-methyl-bis(prop-2-enyl)azanium bromide

C19H38BrN — CID 10642264

IUPACdodecyl-methyl-bis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C19H38N.BrH/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3;/h6-7H,2-3,5,8-19H2,1,4H3;1H/q+1;/p-1
InChIKeyOVPAAVVSBNNSDW-UHFFFAOYSA-M
MW360.42 g/mol
LogP2.73
Rot. Bonds15

About dodecyl-methyl-bis(prop-2-enyl)azanium bromide

dodecyl-methyl-bis(prop-2-enyl)azanium bromide (PubChem CID 10642264) has the molecular formula C19H38BrN and a molecular weight of 360.42 g/mol. Its IUPAC name is dodecyl-methyl-bis(prop-2-enyl)azanium bromide.

Molecular Properties

Compound Namedodecyl-methyl-bis(prop-2-enyl)azanium bromide
PubChem CID10642264
Molecular FormulaC19H38BrN
Molecular Weight360.42 g/mol
Exact Mass359.22
IUPAC Namedodecyl-methyl-bis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C19H38N.BrH/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3;/h6-7H,2-3,5,8-19H2,1,4H3;1H/q+1;/p-1
InChIKeyOVPAAVVSBNNSDW-UHFFFAOYSA-M
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.73
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 dodecyl-methyl-bis(prop-2-enyl)azanium bromide 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

Allyldimethyldodecylammonium bromide
CID 10520722
12-[Diethyl(prop-2-enyl)azaniumyl]dodecyl-diethyl-prop-2-enylazanium dibromide
CID 10769098
Bis[2-[dimethyl(undecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium tribromide
CID 118721047
Bis[3-[dodecyl(dimethyl)azaniumyl]propyl]-methyl-prop-2-enylazanium tribromide
CID 118721058
dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]-tridecylazanium iodide
CID 122181924
dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]-tetradecylazanium iodide
CID 122181926
hexadecyl-dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]azanium iodide
CID 122181928
Hexadecylamine, N,N-di(allyl)-
CID 10448774
Octadecen-1-amine, N,N-dimethyl-
CID 119807
Bis[2-[decyl(dimethyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium tribromide
CID 118721045
Bis[2-[dodecyl(dimethyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium tribromide
CID 118721049
Bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium tribromide
CID 118721051

Frequently Asked Questions

What is the IUPAC name of dodecyl-methyl-bis(prop-2-enyl)azanium bromide?
The IUPAC name of dodecyl-methyl-bis(prop-2-enyl)azanium bromide (CID 10642264) is dodecyl-methyl-bis(prop-2-enyl)azanium bromide.
What is the SMILES notation for dodecyl-methyl-bis(prop-2-enyl)azanium bromide?
The canonical SMILES for dodecyl-methyl-bis(prop-2-enyl)azanium bromide is C=CC[N+](C)(CC=C)CCCCCCCCCCCC.[Br-].
What is the InChIKey of dodecyl-methyl-bis(prop-2-enyl)azanium bromide?
The InChIKey is OVPAAVVSBNNSDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H38N.BrH/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3;/h6-7H,2-3,5,8-19H2,1,4H3;1H/q+1;/p-1.
What are the key properties of dodecyl-methyl-bis(prop-2-enyl)azanium bromide?
dodecyl-methyl-bis(prop-2-enyl)azanium bromide has a molecular weight of 360.42 g/mol, XLogP of 2.73, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-methyl-bis(prop-2-enyl)azanium bromide is sourced from PubChem (CID 10642264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).