dodecyl-dimethyl-undecylazanium

C25H54N+ — CID 21491028

IUPACdodecyl-dimethyl-undecylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC
InChIInChI=1S/C25H54N/c1-5-7-9-11-13-15-17-19-21-23-25-26(3,4)24-22-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1
InChIKeyJLYCOCVGWPXQDZ-UHFFFAOYSA-N
MW368.71 g/mol
LogP8.51
Rot. Bonds21

About dodecyl-dimethyl-undecylazanium

dodecyl-dimethyl-undecylazanium (PubChem CID 21491028) has the molecular formula C25H54N+ and a molecular weight of 368.71 g/mol. Its IUPAC name is dodecyl-dimethyl-undecylazanium.

Molecular Properties

Compound Namedodecyl-dimethyl-undecylazanium
PubChem CID21491028
Molecular FormulaC25H54N+
Molecular Weight368.71 g/mol
Exact Mass368.43
IUPAC Namedodecyl-dimethyl-undecylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC
InChIInChI=1S/C25H54N/c1-5-7-9-11-13-15-17-19-21-23-25-26(3,4)24-22-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1
InChIKeyJLYCOCVGWPXQDZ-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dodecyl-dimethyl-undecylazanium 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

icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-undecylazanium?
The IUPAC name of dodecyl-dimethyl-undecylazanium (CID 21491028) is dodecyl-dimethyl-undecylazanium.
What is the SMILES notation for dodecyl-dimethyl-undecylazanium?
The canonical SMILES for dodecyl-dimethyl-undecylazanium is CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-undecylazanium?
The InChIKey is JLYCOCVGWPXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N/c1-5-7-9-11-13-15-17-19-21-23-25-26(3,4)24-22-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1.
What are the key properties of dodecyl-dimethyl-undecylazanium?
dodecyl-dimethyl-undecylazanium has a molecular weight of 368.71 g/mol, XLogP of 8.51, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-undecylazanium is sourced from PubChem (CID 21491028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).