azane;methyl-tri(tetradecyl)azanium

C43H93N2+ — CID 172739350

IUPACazane;methyl-tri(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.N
InChIInChI=1S/C43H90N.H3N/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44(4,42-39-36-33-30-27-24-21-18-15-12-9-6-2)43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-43H2,1-4H3;1H3/q+1;
InChIKeyIWNHRNRBKIKYIN-UHFFFAOYSA-N
MW638.23 g/mol
LogP15.70
Rot. Bonds39

About azane;methyl-tri(tetradecyl)azanium

azane;methyl-tri(tetradecyl)azanium (PubChem CID 172739350) has the molecular formula C43H93N2+ and a molecular weight of 638.23 g/mol. Its IUPAC name is azane;methyl-tri(tetradecyl)azanium.

Molecular Properties

Compound Nameazane;methyl-tri(tetradecyl)azanium
PubChem CID172739350
Molecular FormulaC43H93N2+
Molecular Weight638.23 g/mol
Exact Mass637.73
IUPAC Nameazane;methyl-tri(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.N
InChIInChI=1S/C43H90N.H3N/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44(4,42-39-36-33-30-27-24-21-18-15-12-9-6-2)43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-43H2,1-4H3;1H3/q+1;
InChIKeyIWNHRNRBKIKYIN-UHFFFAOYSA-N
XLogP15.70
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.23
LogP ≤ 515.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
triheptyl(methyl)azanium hydroxide
CID 87534234
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
methyl-tri(nonyl)azanium iodide
CID 88652767
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
methyl-tri(undecyl)azanium bromide
CID 15066122
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491

Frequently Asked Questions

What is the IUPAC name of azane;methyl-tri(tetradecyl)azanium?
The IUPAC name of azane;methyl-tri(tetradecyl)azanium (CID 172739350) is azane;methyl-tri(tetradecyl)azanium.
What is the SMILES notation for azane;methyl-tri(tetradecyl)azanium?
The canonical SMILES for azane;methyl-tri(tetradecyl)azanium is CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.N.
What is the InChIKey of azane;methyl-tri(tetradecyl)azanium?
The InChIKey is IWNHRNRBKIKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H90N.H3N/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44(4,42-39-36-33-30-27-24-21-18-15-12-9-6-2)43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-43H2,1-4H3;1H3/q+1;.
What are the key properties of azane;methyl-tri(tetradecyl)azanium?
azane;methyl-tri(tetradecyl)azanium has a molecular weight of 638.23 g/mol, XLogP of 15.70, 39 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl-tri(tetradecyl)azanium is sourced from PubChem (CID 172739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).