dimethyl-octyl-phenylazanium

C16H28N+ — CID 54404840

IUPACdimethyl-octyl-phenylazanium
SMILESCCCCCCCC[N+](C)(C)c1ccccc1
InChIInChI=1S/C16H28N/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3/q+1
InChIKeyVPYRFGQIVMVNEM-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.61
Rot. Bonds8

About dimethyl-octyl-phenylazanium

dimethyl-octyl-phenylazanium (PubChem CID 54404840) has the molecular formula C16H28N+ and a molecular weight of 234.41 g/mol. Its IUPAC name is dimethyl-octyl-phenylazanium.

Molecular Properties

Compound Namedimethyl-octyl-phenylazanium
PubChem CID54404840
Molecular FormulaC16H28N+
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Namedimethyl-octyl-phenylazanium
SMILESCCCCCCCC[N+](C)(C)c1ccccc1
InChIInChI=1S/C16H28N/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3/q+1
InChIKeyVPYRFGQIVMVNEM-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.61
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

dimethyl-pentadecyl-phenylazanium chloride
CID 70606741
dodecyl-dimethyl-phenylazanium hydroxide
CID 70585680
bis(dimethyl-octadecyl-phenylazanium);sulfate
CID 67908951
diethyl-phenyl-tetradecylazanium;dimethyl-phenyl-tetradecylazanium;dihydroxide
CID 21316097
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773
hexadecyl-[4-[hexadecyl(dimethyl)azaniumyl]phenyl]-dimethylazanium
CID 101113439
dimethyl-octadecyl-(4-phenoxyphenyl)azanium
CID 118035898
methyl-phenyl-di(tridecyl)azanium
CID 90292596
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
triphenyl(undecyl)azanium
CID 69395784
dihexyl(diphenyl)azanium
CID 18362526
hexyl-dimethyl-(4-methylphenyl)azanium chloride
CID 20509090

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-phenylazanium?
The IUPAC name of dimethyl-octyl-phenylazanium (CID 54404840) is dimethyl-octyl-phenylazanium.
What is the SMILES notation for dimethyl-octyl-phenylazanium?
The canonical SMILES for dimethyl-octyl-phenylazanium is CCCCCCCC[N+](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-octyl-phenylazanium?
The InChIKey is VPYRFGQIVMVNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3/q+1.
What are the key properties of dimethyl-octyl-phenylazanium?
dimethyl-octyl-phenylazanium has a molecular weight of 234.41 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-phenylazanium is sourced from PubChem (CID 54404840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).