trimethyl(tetracosa-5,7-diynyl)azanium

C27H50N+ — CID 101024273

IUPACtrimethyl(tetracosa-5,7-diynyl)azanium
SMILESCCCCCCCCCCCCCCCCC#CC#CCCCC[N+](C)(C)C
InChIInChI=1S/C27H50N/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(2,3)4/h5-19,24-27H2,1-4H3/q+1
InChIKeyKECQTJIKXZLHIV-UHFFFAOYSA-N
MW388.70 g/mol
LogP7.74
Rot. Bonds18

About trimethyl(tetracosa-5,7-diynyl)azanium

trimethyl(tetracosa-5,7-diynyl)azanium (PubChem CID 101024273) has the molecular formula C27H50N+ and a molecular weight of 388.70 g/mol. Its IUPAC name is trimethyl(tetracosa-5,7-diynyl)azanium.

Molecular Properties

Compound Nametrimethyl(tetracosa-5,7-diynyl)azanium
PubChem CID101024273
Molecular FormulaC27H50N+
Molecular Weight388.70 g/mol
Exact Mass388.39
IUPAC Nametrimethyl(tetracosa-5,7-diynyl)azanium
SMILESCCCCCCCCCCCCCCCCC#CC#CCCCC[N+](C)(C)C
InChIInChI=1S/C27H50N/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(2,3)4/h5-19,24-27H2,1-4H3/q+1
InChIKeyKECQTJIKXZLHIV-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 57.74
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl(tetracosa-5,7-diynyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
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
dotetracontyl(trimethyl)azanium chloride
CID 141323567

Frequently Asked Questions

What is the IUPAC name of trimethyl(tetracosa-5,7-diynyl)azanium?
The IUPAC name of trimethyl(tetracosa-5,7-diynyl)azanium (CID 101024273) is trimethyl(tetracosa-5,7-diynyl)azanium.
What is the SMILES notation for trimethyl(tetracosa-5,7-diynyl)azanium?
The canonical SMILES for trimethyl(tetracosa-5,7-diynyl)azanium is CCCCCCCCCCCCCCCCC#CC#CCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(tetracosa-5,7-diynyl)azanium?
The InChIKey is KECQTJIKXZLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N/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(2,3)4/h5-19,24-27H2,1-4H3/q+1.
What are the key properties of trimethyl(tetracosa-5,7-diynyl)azanium?
trimethyl(tetracosa-5,7-diynyl)azanium has a molecular weight of 388.70 g/mol, XLogP of 7.74, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tetracosa-5,7-diynyl)azanium is sourced from PubChem (CID 101024273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).