About cyclododecyl(trimethyl)azanium bromide
cyclododecyl(trimethyl)azanium bromide (PubChem CID 175020477) has the molecular formula C15H32BrN
and a molecular weight of 306.33 g/mol. Its IUPAC name is cyclododecyl(trimethyl)azanium bromide.
Molecular Properties
| Compound Name | cyclododecyl(trimethyl)azanium bromide |
|---|
| PubChem CID | 175020477 |
|---|
| Molecular Formula | C15H32BrN |
|---|
| Molecular Weight | 306.33 g/mol |
|---|
| Exact Mass | 305.17 |
|---|
| IUPAC Name | cyclododecyl(trimethyl)azanium bromide |
|---|
| SMILES | C[N+](C)(C)C1CCCCCCCCCCC1.[Br-] |
|---|
| InChI | InChI=1S/C15H32N.BrH/c1-16(2,3)15-13-11-9-7-5-4-6-8-10-12-14-15;/h15H,4-14H2,1-3H3;1H/q+1;/p-1 |
|---|
| InChIKey | ZBDGZYKJUZNQOR-UHFFFAOYSA-M |
|---|
| XLogP | 1.37 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 17 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 306.33 |
| LogP ≤ 5 | 1.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
|---|
Analyze cyclododecyl(trimethyl)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
Frequently Asked Questions
What is the IUPAC name of cyclododecyl(trimethyl)azanium bromide?
The IUPAC name of cyclododecyl(trimethyl)azanium bromide (CID 175020477) is cyclododecyl(trimethyl)azanium bromide.
What is the SMILES notation for cyclododecyl(trimethyl)azanium bromide?
The canonical SMILES for cyclododecyl(trimethyl)azanium bromide is C[N+](C)(C)C1CCCCCCCCCCC1.[Br-].
What is the InChIKey of cyclododecyl(trimethyl)azanium bromide?
The InChIKey is ZBDGZYKJUZNQOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N.BrH/c1-16(2,3)15-13-11-9-7-5-4-6-8-10-12-14-15;/h15H,4-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyclododecyl(trimethyl)azanium bromide?
cyclododecyl(trimethyl)azanium bromide has a molecular weight of 306.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl(trimethyl)azanium bromide is sourced from PubChem (CID 175020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).