azane;methyl sulfate;trimethyl(tetradecyl)azanium

C18H44N2O4S — CID 172859369

IUPACazane;methyl sulfate;trimethyl(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-].N
InChIInChI=1S/C17H38N.CH4O4S.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;/h5-17H2,1-4H3;1H3,(H,2,3,4);1H3/q+1;;/p-1
InChIKeyZDKOXEPDRKZCLH-UHFFFAOYSA-M
MW384.63 g/mol
LogP4.65
Rot. Bonds14

About azane;methyl sulfate;trimethyl(tetradecyl)azanium

azane;methyl sulfate;trimethyl(tetradecyl)azanium (PubChem CID 172859369) has the molecular formula C18H44N2O4S and a molecular weight of 384.63 g/mol. Its IUPAC name is azane;methyl sulfate;trimethyl(tetradecyl)azanium.

Molecular Properties

Compound Nameazane;methyl sulfate;trimethyl(tetradecyl)azanium
PubChem CID172859369
Molecular FormulaC18H44N2O4S
Molecular Weight384.63 g/mol
Exact Mass384.30
IUPAC Nameazane;methyl sulfate;trimethyl(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-].N
InChIInChI=1S/C17H38N.CH4O4S.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;/h5-17H2,1-4H3;1H3,(H,2,3,4);1H3/q+1;;/p-1
InChIKeyZDKOXEPDRKZCLH-UHFFFAOYSA-M
XLogP4.65
TPSA101.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

dihexadecyl(dimethyl)azanium;methyl sulfate
CID 22035523
lithium;methane;methanesulfonate;bis(trimethyl(octadecyl)azanium)
CID 160869131
hexyl(trimethyl)azanium;hydrogen sulfate
CID 44721199
heptadecyl(trimethyl)azanium;hydrogen sulfate
CID 172690127
decyl(trimethyl)azanium;dodecyl sulfate
CID 87665882
decyl(trimethyl)azanium;hexadecyl sulfate
CID 22145052
methyl sulfate;trimethyl(3-oxotetradecyl)azanium
CID 156768966
decyl(trimethyl)azanium;octane-1-sulfonate
CID 159252289
hexadecyl(trimethyl)azanium;hydrogen sulfate;methanamine
CID 174832870
ethyl-dihexadecyl-hydroxyazanium;methyl sulfate
CID 22121726
methyl sulfate;tris(2-hydroxyethyl)-octadecylazanium
CID 158435690
dimethyl-bis[(Z)-octadec-9-enyl]azanium;methyl sulfate
CID 87485636

Frequently Asked Questions

What is the IUPAC name of azane;methyl sulfate;trimethyl(tetradecyl)azanium?
The IUPAC name of azane;methyl sulfate;trimethyl(tetradecyl)azanium (CID 172859369) is azane;methyl sulfate;trimethyl(tetradecyl)azanium.
What is the SMILES notation for azane;methyl sulfate;trimethyl(tetradecyl)azanium?
The canonical SMILES for azane;methyl sulfate;trimethyl(tetradecyl)azanium is CCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-].N.
What is the InChIKey of azane;methyl sulfate;trimethyl(tetradecyl)azanium?
The InChIKey is ZDKOXEPDRKZCLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38N.CH4O4S.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;/h5-17H2,1-4H3;1H3,(H,2,3,4);1H3/q+1;;/p-1.
What are the key properties of azane;methyl sulfate;trimethyl(tetradecyl)azanium?
azane;methyl sulfate;trimethyl(tetradecyl)azanium has a molecular weight of 384.63 g/mol, XLogP of 4.65, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl sulfate;trimethyl(tetradecyl)azanium is sourced from PubChem (CID 172859369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).