docosyl-methyl-tetradecylazanium chloride

C37H78ClN — CID 141288943

IUPACdocosyl-methyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C37H77N.ClH/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-17-15-13-11-9-7-5-2;/h4-37H2,1-3H3;1H
InChIKeyJKVFSSLXMNMKJY-UHFFFAOYSA-N
MW572.49 g/mol
LogP9.03
Rot. Bonds34

About docosyl-methyl-tetradecylazanium chloride

docosyl-methyl-tetradecylazanium chloride (PubChem CID 141288943) has the molecular formula C37H78ClN and a molecular weight of 572.49 g/mol. Its IUPAC name is docosyl-methyl-tetradecylazanium chloride.

Molecular Properties

Compound Namedocosyl-methyl-tetradecylazanium chloride
PubChem CID141288943
Molecular FormulaC37H78ClN
Molecular Weight572.49 g/mol
Exact Mass571.58
IUPAC Namedocosyl-methyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C37H77N.ClH/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-17-15-13-11-9-7-5-2;/h4-37H2,1-3H3;1H
InChIKeyJKVFSSLXMNMKJY-UHFFFAOYSA-N
XLogP9.03
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.49
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-octyl-pentylazanium bromide
CID 139956021
heptyl-hexyl-methylazanium bromide
CID 139955900
methyl-di(undecyl)azanium iodide
CID 139956406
ethyl-hexacosyl-methylazanium chloride
CID 87596133
2-chloroethyl-methyl-octadecylazanium chloride
CID 86722748
methyl(dioctadecyl)azanium chlorite
CID 87492098
dodecyl-ethyl-methylazanium bromide
CID 87851424
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
didecyl(methyl)azanium acetate
CID 122696251
2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride
CID 158031583
3-carboxypropyl-methyl-tetradecylazanium
CID 145097608
undecane chloride
CID 19736895

Frequently Asked Questions

What is the IUPAC name of docosyl-methyl-tetradecylazanium chloride?
The IUPAC name of docosyl-methyl-tetradecylazanium chloride (CID 141288943) is docosyl-methyl-tetradecylazanium chloride.
What is the SMILES notation for docosyl-methyl-tetradecylazanium chloride?
The canonical SMILES for docosyl-methyl-tetradecylazanium chloride is CCCCCCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCC.[Cl-].
What is the InChIKey of docosyl-methyl-tetradecylazanium chloride?
The InChIKey is JKVFSSLXMNMKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N.ClH/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-17-15-13-11-9-7-5-2;/h4-37H2,1-3H3;1H.
What are the key properties of docosyl-methyl-tetradecylazanium chloride?
docosyl-methyl-tetradecylazanium chloride has a molecular weight of 572.49 g/mol, XLogP of 9.03, 34 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosyl-methyl-tetradecylazanium chloride is sourced from PubChem (CID 141288943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).