trimethyl(15-methyltricosyl)azanium

C27H58N+ — CID 23293385

IUPACtrimethyl(15-methyltricosyl)azanium
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C27H58N/c1-6-7-8-9-18-21-24-27(2)25-22-19-16-14-12-10-11-13-15-17-20-23-26-28(3,4)5/h27H,6-26H2,1-5H3/q+1
InChIKeyPUVHAPFQGMVTSF-UHFFFAOYSA-N
MW396.77 g/mol
LogP9.15
Rot. Bonds22

About trimethyl(15-methyltricosyl)azanium

trimethyl(15-methyltricosyl)azanium (PubChem CID 23293385) has the molecular formula C27H58N+ and a molecular weight of 396.77 g/mol. Its IUPAC name is trimethyl(15-methyltricosyl)azanium.

Molecular Properties

Compound Nametrimethyl(15-methyltricosyl)azanium
PubChem CID23293385
Molecular FormulaC27H58N+
Molecular Weight396.77 g/mol
Exact Mass396.46
IUPAC Nametrimethyl(15-methyltricosyl)azanium
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C27H58N/c1-6-7-8-9-18-21-24-27(2)25-22-19-16-14-12-10-11-13-15-17-20-23-26-28(3,4)5/h27H,6-26H2,1-5H3/q+1
InChIKeyPUVHAPFQGMVTSF-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.77
LogP ≤ 59.15
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(7-methylnonyl)azanium
CID 54435403
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375
12,22-dimethylhexatriacontane
CID 6430382
10,18-dimethyloctacosane
CID 86203537
(7R)-7-methyltetradecane
CID 163036465
9,21-dimethyldotriacontane
CID 6430458
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of trimethyl(15-methyltricosyl)azanium?
The IUPAC name of trimethyl(15-methyltricosyl)azanium (CID 23293385) is trimethyl(15-methyltricosyl)azanium.
What is the SMILES notation for trimethyl(15-methyltricosyl)azanium?
The canonical SMILES for trimethyl(15-methyltricosyl)azanium is CCCCCCCCC(C)CCCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(15-methyltricosyl)azanium?
The InChIKey is PUVHAPFQGMVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58N/c1-6-7-8-9-18-21-24-27(2)25-22-19-16-14-12-10-11-13-15-17-20-23-26-28(3,4)5/h27H,6-26H2,1-5H3/q+1.
What are the key properties of trimethyl(15-methyltricosyl)azanium?
trimethyl(15-methyltricosyl)azanium has a molecular weight of 396.77 g/mol, XLogP of 9.15, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(15-methyltricosyl)azanium is sourced from PubChem (CID 23293385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).