2-methyltricosan-2-ylazanium chloride

C24H52ClN — CID 22269541

IUPAC2-methyltricosan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)(C)[NH3+].[Cl-]
InChIInChI=1S/C24H51N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25;/h4-23,25H2,1-3H3;1H
InChIKeyIDDWRIGZBDPCFV-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.83
Rot. Bonds20

About 2-methyltricosan-2-ylazanium chloride

2-methyltricosan-2-ylazanium chloride (PubChem CID 22269541) has the molecular formula C24H52ClN and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-methyltricosan-2-ylazanium chloride.

Molecular Properties

Compound Name2-methyltricosan-2-ylazanium chloride
PubChem CID22269541
Molecular FormulaC24H52ClN
Molecular Weight390.14 g/mol
Exact Mass389.38
IUPAC Name2-methyltricosan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)(C)[NH3+].[Cl-]
InChIInChI=1S/C24H51N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25;/h4-23,25H2,1-3H3;1H
InChIKeyIDDWRIGZBDPCFV-UHFFFAOYSA-N
XLogP4.83
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.83
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

azanium;13-methylpentacosan-13-ylazanium;difluoride
CID 141148559
17-hexadecyltritriacontan-17-ylazanium iodide
CID 170692960
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethylpropane;heptane
CID 144531055
4-methyl-4-propylnonane
CID 54241684
5-butyl-5-methylpentadecane
CID 174700907
azane;2,2-dimethylundecane
CID 172735807
undecane chloride
CID 19736895
2,2-dimethylundecane;hydrobromide
CID 172814192
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of 2-methyltricosan-2-ylazanium chloride?
The IUPAC name of 2-methyltricosan-2-ylazanium chloride (CID 22269541) is 2-methyltricosan-2-ylazanium chloride.
What is the SMILES notation for 2-methyltricosan-2-ylazanium chloride?
The canonical SMILES for 2-methyltricosan-2-ylazanium chloride is CCCCCCCCCCCCCCCCCCCCCC(C)(C)[NH3+].[Cl-].
What is the InChIKey of 2-methyltricosan-2-ylazanium chloride?
The InChIKey is IDDWRIGZBDPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25;/h4-23,25H2,1-3H3;1H.
What are the key properties of 2-methyltricosan-2-ylazanium chloride?
2-methyltricosan-2-ylazanium chloride has a molecular weight of 390.14 g/mol, XLogP of 4.83, 20 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricosan-2-ylazanium chloride is sourced from PubChem (CID 22269541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).