methyl-di(undecyl)azanium iodide

C23H50IN — CID 139956406

IUPACmethyl-di(undecyl)azanium iodide
SMILESCCCCCCCCCCC[NH+](C)CCCCCCCCCCC.[I-]
InChIInChI=1S/C23H49N.HI/c1-4-6-8-10-12-14-16-18-20-22-24(3)23-21-19-17-15-13-11-9-7-5-2;/h4-23H2,1-3H3;1H
InChIKeyKNDJBVRKPWVDSX-UHFFFAOYSA-N
MW467.56 g/mol
LogP3.57
Rot. Bonds20

About methyl-di(undecyl)azanium iodide

methyl-di(undecyl)azanium iodide (PubChem CID 139956406) has the molecular formula C23H50IN and a molecular weight of 467.56 g/mol. Its IUPAC name is methyl-di(undecyl)azanium iodide.

Molecular Properties

Compound Namemethyl-di(undecyl)azanium iodide
PubChem CID139956406
Molecular FormulaC23H50IN
Molecular Weight467.56 g/mol
Exact Mass467.30
IUPAC Namemethyl-di(undecyl)azanium iodide
SMILESCCCCCCCCCCC[NH+](C)CCCCCCCCCCC.[I-]
InChIInChI=1S/C23H49N.HI/c1-4-6-8-10-12-14-16-18-20-22-24(3)23-21-19-17-15-13-11-9-7-5-2;/h4-23H2,1-3H3;1H
InChIKeyKNDJBVRKPWVDSX-UHFFFAOYSA-N
XLogP3.57
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl-octyl-pentylazanium bromide
CID 139956021
docosyl-methyl-tetradecylazanium chloride
CID 141288943
heptyl-hexyl-methylazanium bromide
CID 139955900
methyl(dioctadecyl)azanium chlorite
CID 87492098
ethyl-hexacosyl-methylazanium chloride
CID 87596133
dodecyl-ethyl-methylazanium bromide
CID 87851424
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
2-chloroethyl-methyl-octadecylazanium chloride
CID 86722748
didecyl(methyl)azanium acetate
CID 122696251
tridodecylazanium iodide
CID 23216258
3-carboxypropyl-methyl-tetradecylazanium
CID 145097608
dodecyl(dimethyl)azanium fluoride
CID 160570915

Frequently Asked Questions

What is the IUPAC name of methyl-di(undecyl)azanium iodide?
The IUPAC name of methyl-di(undecyl)azanium iodide (CID 139956406) is methyl-di(undecyl)azanium iodide.
What is the SMILES notation for methyl-di(undecyl)azanium iodide?
The canonical SMILES for methyl-di(undecyl)azanium iodide is CCCCCCCCCCC[NH+](C)CCCCCCCCCCC.[I-].
What is the InChIKey of methyl-di(undecyl)azanium iodide?
The InChIKey is KNDJBVRKPWVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N.HI/c1-4-6-8-10-12-14-16-18-20-22-24(3)23-21-19-17-15-13-11-9-7-5-2;/h4-23H2,1-3H3;1H.
What are the key properties of methyl-di(undecyl)azanium iodide?
methyl-di(undecyl)azanium iodide has a molecular weight of 467.56 g/mol, XLogP of 3.57, 20 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(undecyl)azanium iodide is sourced from PubChem (CID 139956406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).