cyclododecyl-dimethyl-nonylazanium

C23H48N+ — CID 175529320

IUPACcyclododecyl-dimethyl-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)C1CCCCCCCCCCC1
InChIInChI=1S/C23H48N/c1-4-5-6-7-13-16-19-22-24(2,3)23-20-17-14-11-9-8-10-12-15-18-21-23/h23H,4-22H2,1-3H3/q+1
InChIKeyZAFGOBWGXYEJEV-UHFFFAOYSA-N
MW338.64 g/mol
LogP7.49
Rot. Bonds9

About cyclododecyl-dimethyl-nonylazanium

cyclododecyl-dimethyl-nonylazanium (PubChem CID 175529320) has the molecular formula C23H48N+ and a molecular weight of 338.64 g/mol. Its IUPAC name is cyclododecyl-dimethyl-nonylazanium.

Molecular Properties

Compound Namecyclododecyl-dimethyl-nonylazanium
PubChem CID175529320
Molecular FormulaC23H48N+
Molecular Weight338.64 g/mol
Exact Mass338.38
IUPAC Namecyclododecyl-dimethyl-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)C1CCCCCCCCCCC1
InChIInChI=1S/C23H48N/c1-4-5-6-7-13-16-19-22-24(2,3)23-20-17-14-11-9-8-10-12-15-18-21-23/h23H,4-22H2,1-3H3/q+1
InChIKeyZAFGOBWGXYEJEV-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.64
LogP ≤ 57.49
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'}

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Related Compounds

CID 158406819
CID 158406819
N-heptadecyl-N-methylcyclohexanamine oxide
CID 122613241
cycloundecyl-dimethyl-nonylazanium;phosphoric acid
CID 175529024
cyclohexyl-dimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide
CID 171669807
cyclohexyl-dipropyl-tetradecylazanium
CID 14671689
(2-hydroxycyclohexyl)-dimethyl-pentadecylazanium bromide
CID 70636553
CID 159556097
CID 159556097
cycloheptyloxymethyl-decyl-dimethylazanium
CID 10712689
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
cyclododecyloxymethyl-decyl-dimethylazanium chloride
CID 10645663
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of cyclododecyl-dimethyl-nonylazanium?
The IUPAC name of cyclododecyl-dimethyl-nonylazanium (CID 175529320) is cyclododecyl-dimethyl-nonylazanium.
What is the SMILES notation for cyclododecyl-dimethyl-nonylazanium?
The canonical SMILES for cyclododecyl-dimethyl-nonylazanium is CCCCCCCCC[N+](C)(C)C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl-dimethyl-nonylazanium?
The InChIKey is ZAFGOBWGXYEJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N/c1-4-5-6-7-13-16-19-22-24(2,3)23-20-17-14-11-9-8-10-12-15-18-21-23/h23H,4-22H2,1-3H3/q+1.
What are the key properties of cyclododecyl-dimethyl-nonylazanium?
cyclododecyl-dimethyl-nonylazanium has a molecular weight of 338.64 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl-dimethyl-nonylazanium is sourced from PubChem (CID 175529320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).