trimethyl(nonatetracontyl)azanium

C52H108N+ — CID 118223275

IUPACtrimethyl(nonatetracontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C52H108N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53(2,3)4/h5-52H2,1-4H3/q+1
InChIKeyBWBVUVGCYBIYMK-UHFFFAOYSA-N
MW747.44 g/mol
LogP19.05
Rot. Bonds48

About trimethyl(nonatetracontyl)azanium

trimethyl(nonatetracontyl)azanium (PubChem CID 118223275) has the molecular formula C52H108N+ and a molecular weight of 747.44 g/mol. Its IUPAC name is trimethyl(nonatetracontyl)azanium.

Molecular Properties

Compound Nametrimethyl(nonatetracontyl)azanium
PubChem CID118223275
Molecular FormulaC52H108N+
Molecular Weight747.44 g/mol
Exact Mass746.85
IUPAC Nametrimethyl(nonatetracontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C52H108N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53(2,3)4/h5-52H2,1-4H3/q+1
InChIKeyBWBVUVGCYBIYMK-UHFFFAOYSA-N
XLogP19.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.44
LogP ≤ 519.05
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

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
icosyl(trimethyl)azanium hydroxide
CID 21324498

Frequently Asked Questions

What is the IUPAC name of trimethyl(nonatetracontyl)azanium?
The IUPAC name of trimethyl(nonatetracontyl)azanium (CID 118223275) is trimethyl(nonatetracontyl)azanium.
What is the SMILES notation for trimethyl(nonatetracontyl)azanium?
The canonical SMILES for trimethyl(nonatetracontyl)azanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(nonatetracontyl)azanium?
The InChIKey is BWBVUVGCYBIYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H108N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53(2,3)4/h5-52H2,1-4H3/q+1.
What are the key properties of trimethyl(nonatetracontyl)azanium?
trimethyl(nonatetracontyl)azanium has a molecular weight of 747.44 g/mol, XLogP of 19.05, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(nonatetracontyl)azanium is sourced from PubChem (CID 118223275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).