didecyl(dimethyl)azanium chloride

C22H48ClN — CID 23558

IUPACdidecyl(dimethyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyRUPBZQFQVRMKDG-UHFFFAOYSA-M
MW362.09 g/mol
LogP4.35
Rot. Bonds18

About didecyl(dimethyl)azanium chloride

didecyl(dimethyl)azanium chloride (PubChem CID 23558) has the molecular formula C22H48ClN and a molecular weight of 362.09 g/mol. Its IUPAC name is didecyl(dimethyl)azanium chloride.

Molecular Properties

Compound Namedidecyl(dimethyl)azanium chloride
PubChem CID23558
Molecular FormulaC22H48ClN
Molecular Weight362.09 g/mol
Exact Mass361.35
IUPAC Namedidecyl(dimethyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyRUPBZQFQVRMKDG-UHFFFAOYSA-M
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of didecyl(dimethyl)azanium chloride?
The IUPAC name of didecyl(dimethyl)azanium chloride (CID 23558) is didecyl(dimethyl)azanium chloride.
What is the SMILES notation for didecyl(dimethyl)azanium chloride?
The canonical SMILES for didecyl(dimethyl)azanium chloride is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-].
What is the InChIKey of didecyl(dimethyl)azanium chloride?
The InChIKey is RUPBZQFQVRMKDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1.
What are the key properties of didecyl(dimethyl)azanium chloride?
didecyl(dimethyl)azanium chloride has a molecular weight of 362.09 g/mol, XLogP of 4.35, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl(dimethyl)azanium chloride is sourced from PubChem (CID 23558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).