benzyl-dimethyl-tetradecylazanium chloride

C23H42ClN — CID 8755

IUPACbenzyl-dimethyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKeyOCBHHZMJRVXXQK-UHFFFAOYSA-M
MW368.05 g/mol
LogP3.97
Rot. Bonds15

About benzyl-dimethyl-tetradecylazanium chloride

benzyl-dimethyl-tetradecylazanium chloride (PubChem CID 8755) has the molecular formula C23H42ClN and a molecular weight of 368.05 g/mol. Its IUPAC name is benzyl-dimethyl-tetradecylazanium chloride.

Molecular Properties

Compound Namebenzyl-dimethyl-tetradecylazanium chloride
PubChem CID8755
Molecular FormulaC23H42ClN
Molecular Weight368.05 g/mol
Exact Mass367.30
IUPAC Namebenzyl-dimethyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKeyOCBHHZMJRVXXQK-UHFFFAOYSA-M
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.05
LogP ≤ 53.97
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-dimethyl-tetradecylazanium chloride?
The IUPAC name of benzyl-dimethyl-tetradecylazanium chloride (CID 8755) is benzyl-dimethyl-tetradecylazanium chloride.
What is the SMILES notation for benzyl-dimethyl-tetradecylazanium chloride?
The canonical SMILES for benzyl-dimethyl-tetradecylazanium chloride is CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-dimethyl-tetradecylazanium chloride?
The InChIKey is OCBHHZMJRVXXQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-dimethyl-tetradecylazanium chloride?
benzyl-dimethyl-tetradecylazanium chloride has a molecular weight of 368.05 g/mol, XLogP of 3.97, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-tetradecylazanium chloride is sourced from PubChem (CID 8755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).