benzyl-dimethyl-tetradecylazanium

C23H42N+ — CID 8756

IUPACbenzyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C23H42N/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/q+1
InChIKeyWNBGYVXHFTYOBY-UHFFFAOYSA-N
MW332.60 g/mol
LogP6.96
Rot. Bonds15

About benzyl-dimethyl-tetradecylazanium

benzyl-dimethyl-tetradecylazanium (PubChem CID 8756) has the molecular formula C23H42N+ and a molecular weight of 332.60 g/mol. Its IUPAC name is benzyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Namebenzyl-dimethyl-tetradecylazanium
PubChem CID8756
Molecular FormulaC23H42N+
Molecular Weight332.60 g/mol
Exact Mass332.33
IUPAC Namebenzyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C23H42N/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/q+1
InChIKeyWNBGYVXHFTYOBY-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 56.96
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?
The IUPAC name of benzyl-dimethyl-tetradecylazanium (CID 8756) is benzyl-dimethyl-tetradecylazanium.
What is the SMILES notation for benzyl-dimethyl-tetradecylazanium?
The canonical SMILES for benzyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-tetradecylazanium?
The InChIKey is WNBGYVXHFTYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N/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/q+1.
What are the key properties of benzyl-dimethyl-tetradecylazanium?
benzyl-dimethyl-tetradecylazanium has a molecular weight of 332.60 g/mol, XLogP of 6.96, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 8756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).