icosan-2-yl(trimethyl)azanium chloride

C23H50ClN — CID 139396717

IUPACicosan-2-yl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C23H50N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3,4)5;/h23H,6-22H2,1-5H3;1H/q+1;/p-1
InChIKeyQXZVRBLRAAWZBO-UHFFFAOYSA-M
MW376.11 g/mol
LogP4.74
Rot. Bonds18

About icosan-2-yl(trimethyl)azanium chloride

icosan-2-yl(trimethyl)azanium chloride (PubChem CID 139396717) has the molecular formula C23H50ClN and a molecular weight of 376.11 g/mol. Its IUPAC name is icosan-2-yl(trimethyl)azanium chloride.

Molecular Properties

Compound Nameicosan-2-yl(trimethyl)azanium chloride
PubChem CID139396717
Molecular FormulaC23H50ClN
Molecular Weight376.11 g/mol
Exact Mass375.36
IUPAC Nameicosan-2-yl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C23H50N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3,4)5;/h23H,6-22H2,1-5H3;1H/q+1;/p-1
InChIKeyQXZVRBLRAAWZBO-UHFFFAOYSA-M
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.74
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'}

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Related Compounds

decan-2-yl(trimethyl)azanium chloride
CID 174768597
docosan-2-yl(trimethyl)azanium
CID 141375855
methyl-tri(octan-2-yl)azanium chloride
CID 12783666
bis(decan-2-yl(trimethyl)azanium);sulfate
CID 175575205
dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
CID 173166740
8-hydroxydodecan-2-yl(trimethyl)azanium
CID 174636194
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
triethyl(octan-2-yl)azanium
CID 57165770

Frequently Asked Questions

What is the IUPAC name of icosan-2-yl(trimethyl)azanium chloride?
The IUPAC name of icosan-2-yl(trimethyl)azanium chloride (CID 139396717) is icosan-2-yl(trimethyl)azanium chloride.
What is the SMILES notation for icosan-2-yl(trimethyl)azanium chloride?
The canonical SMILES for icosan-2-yl(trimethyl)azanium chloride is CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C.[Cl-].
What is the InChIKey of icosan-2-yl(trimethyl)azanium chloride?
The InChIKey is QXZVRBLRAAWZBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H50N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3,4)5;/h23H,6-22H2,1-5H3;1H/q+1;/p-1.
What are the key properties of icosan-2-yl(trimethyl)azanium chloride?
icosan-2-yl(trimethyl)azanium chloride has a molecular weight of 376.11 g/mol, XLogP of 4.74, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosan-2-yl(trimethyl)azanium chloride is sourced from PubChem (CID 139396717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).