butyl(dodecyl)azanium

C16H36N+ — CID 91941247

IUPACbutyl(dodecyl)azanium
SMILESCCCCCCCCCCCC[NH2+]CCCC
InChIInChI=1S/C16H35N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h17H,3-16H2,1-2H3/p+1
InChIKeyBPWDRXCIUKMAOL-UHFFFAOYSA-O
MW242.47 g/mol
LogP4.27
Rot. Bonds14

About butyl(dodecyl)azanium

butyl(dodecyl)azanium (PubChem CID 91941247) has the molecular formula C16H36N+ and a molecular weight of 242.47 g/mol. Its IUPAC name is butyl(dodecyl)azanium.

Molecular Properties

Compound Namebutyl(dodecyl)azanium
PubChem CID91941247
Molecular FormulaC16H36N+
Molecular Weight242.47 g/mol
Exact Mass242.28
IUPAC Namebutyl(dodecyl)azanium
SMILESCCCCCCCCCCCC[NH2+]CCCC
InChIInChI=1S/C16H35N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h17H,3-16H2,1-2H3/p+1
InChIKeyBPWDRXCIUKMAOL-UHFFFAOYSA-O
XLogP4.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(tetradecyl)azanium chloride
CID 20788665
didodecylazanium fluoride
CID 87135434
azanium;dioctadecylazanium;dichloride
CID 172767895
dioctadecylazanium tetrafluoroborate
CID 140565722
ethyl(tridecyl)azanium iodide
CID 88651524
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
decyl-[6-(decylazaniumyl)hexyl]-dimethylazanium
CID 131700914
dibutylazanium hexafluorophosphate
CID 23620950
tert-butyl-[2-(hexylazaniumyl)ethyl]azanium
CID 7172003
butyl(5-carboxypentyl)azanium
CID 145146425
tert-butyl-[2-(pentylazaniumyl)ethyl]azanium
CID 7172001
CID 139206332
CID 139206332

Frequently Asked Questions

What is the IUPAC name of butyl(dodecyl)azanium?
The IUPAC name of butyl(dodecyl)azanium (CID 91941247) is butyl(dodecyl)azanium.
What is the SMILES notation for butyl(dodecyl)azanium?
The canonical SMILES for butyl(dodecyl)azanium is CCCCCCCCCCCC[NH2+]CCCC.
What is the InChIKey of butyl(dodecyl)azanium?
The InChIKey is BPWDRXCIUKMAOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H35N/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h17H,3-16H2,1-2H3/p+1.
What are the key properties of butyl(dodecyl)azanium?
butyl(dodecyl)azanium has a molecular weight of 242.47 g/mol, XLogP of 4.27, 14 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dodecyl)azanium is sourced from PubChem (CID 91941247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).