cyclohexyl-dipropyl-tetradecylazanium

C26H54N+ — CID 14671689

IUPACcyclohexyl-dipropyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](CCC)(CCC)C1CCCCC1
InChIInChI=1S/C26H54N/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-27(23-5-2,24-6-3)26-21-18-17-19-22-26/h26H,4-25H2,1-3H3/q+1
InChIKeyPAWZTHSXDDKCDR-UHFFFAOYSA-N
MW380.73 g/mol
LogP8.66
Rot. Bonds18

About cyclohexyl-dipropyl-tetradecylazanium

cyclohexyl-dipropyl-tetradecylazanium (PubChem CID 14671689) has the molecular formula C26H54N+ and a molecular weight of 380.73 g/mol. Its IUPAC name is cyclohexyl-dipropyl-tetradecylazanium.

Molecular Properties

Compound Namecyclohexyl-dipropyl-tetradecylazanium
PubChem CID14671689
Molecular FormulaC26H54N+
Molecular Weight380.73 g/mol
Exact Mass380.43
IUPAC Namecyclohexyl-dipropyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](CCC)(CCC)C1CCCCC1
InChIInChI=1S/C26H54N/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-27(23-5-2,24-6-3)26-21-18-17-19-22-26/h26H,4-25H2,1-3H3/q+1
InChIKeyPAWZTHSXDDKCDR-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.73
LogP ≤ 58.66
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 159556097
CID 159556097
dibutyl-cyclohexyl-(4-hydroxybutyl)azanium hydroxide
CID 159690202
cyclododecyl-dimethyl-nonylazanium
CID 175529320
N-heptadecyl-N-methylcyclohexanamine oxide
CID 122613241
cyclohexyl-bis(2-methylpropyl)-propylazanium
CID 87935404
CID 158406819
CID 158406819
cyclohexyl-hexyl-bis(2-methylpropyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87935682
cycloundecyl-dimethyl-nonylazanium;phosphoric acid
CID 175529024
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519
cyclohexyl(triethyl)azanium;hydroiodide
CID 126960224
cycloheptyloxymethyl-decyl-dimethylazanium
CID 10712689

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dipropyl-tetradecylazanium?
The IUPAC name of cyclohexyl-dipropyl-tetradecylazanium (CID 14671689) is cyclohexyl-dipropyl-tetradecylazanium.
What is the SMILES notation for cyclohexyl-dipropyl-tetradecylazanium?
The canonical SMILES for cyclohexyl-dipropyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](CCC)(CCC)C1CCCCC1.
What is the InChIKey of cyclohexyl-dipropyl-tetradecylazanium?
The InChIKey is PAWZTHSXDDKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-27(23-5-2,24-6-3)26-21-18-17-19-22-26/h26H,4-25H2,1-3H3/q+1.
What are the key properties of cyclohexyl-dipropyl-tetradecylazanium?
cyclohexyl-dipropyl-tetradecylazanium has a molecular weight of 380.73 g/mol, XLogP of 8.66, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dipropyl-tetradecylazanium is sourced from PubChem (CID 14671689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).