dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium

C34H64NO2+ — CID 89087238

IUPACdimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium
SMILESC=C(C)C(=C)OCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCOC(=C)C(=C)C
InChIInChI=1S/C34H64NO2/c1-31(2)33(5)36-29-25-21-17-13-9-11-15-19-23-27-35(7,8)28-24-20-16-12-10-14-18-22-26-30-37-34(6)32(3)4/h1,3,5-6,9-30H2,2,4,7-8H3/q+1
InChIKeyGNSUGZPBMMZMCD-UHFFFAOYSA-N
MW518.89 g/mol
LogP10.30
Rot. Bonds28

About dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium

dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium (PubChem CID 89087238) has the molecular formula C34H64NO2+ and a molecular weight of 518.89 g/mol. Its IUPAC name is dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium
PubChem CID89087238
Molecular FormulaC34H64NO2+
Molecular Weight518.89 g/mol
Exact Mass518.49
IUPAC Namedimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium
SMILESC=C(C)C(=C)OCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCOC(=C)C(=C)C
InChIInChI=1S/C34H64NO2/c1-31(2)33(5)36-29-25-21-17-13-9-11-15-19-23-27-35(7,8)28-24-20-16-12-10-14-18-22-26-30-37-34(6)32(3)4/h1,3,5-6,9-30H2,2,4,7-8H3/q+1
InChIKeyGNSUGZPBMMZMCD-UHFFFAOYSA-N
XLogP10.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.89
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium 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

10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
5-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azaniumyl]pentanoate
CID 172718201
2-carboxyethyl-dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
CID 172766453
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
2-acetyloxyethyl-[10-[2-acetyloxyethyl(dimethyl)azaniumyl]decyl]-dimethylazanium bromide
CID 54611939
benzyl-dimethyl-[8-(2-methylprop-2-enoyloxy)octyl]azanium
CID 139823019
dodecyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium
CID 139894448
dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
CID 118037814
4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate
CID 160964800

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium?
The IUPAC name of dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium (CID 89087238) is dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium.
What is the SMILES notation for dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium?
The canonical SMILES for dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium is C=C(C)C(=C)OCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCOC(=C)C(=C)C.
What is the InChIKey of dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium?
The InChIKey is GNSUGZPBMMZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64NO2/c1-31(2)33(5)36-29-25-21-17-13-9-11-15-19-23-27-35(7,8)28-24-20-16-12-10-14-18-22-26-30-37-34(6)32(3)4/h1,3,5-6,9-30H2,2,4,7-8H3/q+1.
What are the key properties of dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium?
dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium has a molecular weight of 518.89 g/mol, XLogP of 10.30, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[11-(3-methylbuta-1,3-dien-2-yloxy)undecyl]azanium is sourced from PubChem (CID 89087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).