trimethyl(pentatriacontyl)azanium

C38H80N+ — CID 118223294

IUPACtrimethyl(pentatriacontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C38H80N/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(2,3)4/h5-38H2,1-4H3/q+1
InChIKeyGDIGGNFHRUXUEW-UHFFFAOYSA-N
MW551.07 g/mol
LogP13.59
Rot. Bonds34

About trimethyl(pentatriacontyl)azanium

trimethyl(pentatriacontyl)azanium (PubChem CID 118223294) has the molecular formula C38H80N+ and a molecular weight of 551.07 g/mol. Its IUPAC name is trimethyl(pentatriacontyl)azanium.

Molecular Properties

Compound Nametrimethyl(pentatriacontyl)azanium
PubChem CID118223294
Molecular FormulaC38H80N+
Molecular Weight551.07 g/mol
Exact Mass550.63
IUPAC Nametrimethyl(pentatriacontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C38H80N/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(2,3)4/h5-38H2,1-4H3/q+1
InChIKeyGDIGGNFHRUXUEW-UHFFFAOYSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.07
LogP ≤ 513.59
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(nonatetracontyl)azanium
CID 118223275
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
dopentacontyl(trimethyl)azanium chloride
CID 118223354
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115

Frequently Asked Questions

What is the IUPAC name of trimethyl(pentatriacontyl)azanium?
The IUPAC name of trimethyl(pentatriacontyl)azanium (CID 118223294) is trimethyl(pentatriacontyl)azanium.
What is the SMILES notation for trimethyl(pentatriacontyl)azanium?
The canonical SMILES for trimethyl(pentatriacontyl)azanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(pentatriacontyl)azanium?
The InChIKey is GDIGGNFHRUXUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80N/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(2,3)4/h5-38H2,1-4H3/q+1.
What are the key properties of trimethyl(pentatriacontyl)azanium?
trimethyl(pentatriacontyl)azanium has a molecular weight of 551.07 g/mol, XLogP of 13.59, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentatriacontyl)azanium is sourced from PubChem (CID 118223294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).