benzyl-decyl-dimethylazanium chloride

C19H34ClN — CID 13762

IUPACbenzyl-decyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyTTZLKXKJIMOHHG-UHFFFAOYSA-M
MW311.94 g/mol
LogP2.41
Rot. Bonds11

About benzyl-decyl-dimethylazanium chloride

benzyl-decyl-dimethylazanium chloride (PubChem CID 13762) has the molecular formula C19H34ClN and a molecular weight of 311.94 g/mol. Its IUPAC name is benzyl-decyl-dimethylazanium chloride.

Molecular Properties

Compound Namebenzyl-decyl-dimethylazanium chloride
PubChem CID13762
Molecular FormulaC19H34ClN
Molecular Weight311.94 g/mol
Exact Mass311.24
IUPAC Namebenzyl-decyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyTTZLKXKJIMOHHG-UHFFFAOYSA-M
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.94
LogP ≤ 52.41
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 benzyl-decyl-dimethylazanium chloride?
The IUPAC name of benzyl-decyl-dimethylazanium chloride (CID 13762) is benzyl-decyl-dimethylazanium chloride.
What is the SMILES notation for benzyl-decyl-dimethylazanium chloride?
The canonical SMILES for benzyl-decyl-dimethylazanium chloride is CCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-decyl-dimethylazanium chloride?
The InChIKey is TTZLKXKJIMOHHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-decyl-dimethylazanium chloride?
benzyl-decyl-dimethylazanium chloride has a molecular weight of 311.94 g/mol, XLogP of 2.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-decyl-dimethylazanium chloride is sourced from PubChem (CID 13762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).