benzyl(triethyl)azanium

C13H22N+ — CID 17208

IUPACbenzyl(triethyl)azanium
SMILESCC[N+](CC)(CC)Cc1ccccc1
InChIInChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
InChIKeyVBQDSLGFSUGBBE-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.06
Rot. Bonds5

About benzyl(triethyl)azanium

benzyl(triethyl)azanium (PubChem CID 17208) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is benzyl(triethyl)azanium.

Molecular Properties

Compound Namebenzyl(triethyl)azanium
PubChem CID17208
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Namebenzyl(triethyl)azanium
SMILESCC[N+](CC)(CC)Cc1ccccc1
InChIInChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
InChIKeyVBQDSLGFSUGBBE-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(triethyl)azanium?
The IUPAC name of benzyl(triethyl)azanium (CID 17208) is benzyl(triethyl)azanium.
What is the SMILES notation for benzyl(triethyl)azanium?
The canonical SMILES for benzyl(triethyl)azanium is CC[N+](CC)(CC)Cc1ccccc1.
What is the InChIKey of benzyl(triethyl)azanium?
The InChIKey is VBQDSLGFSUGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1.
What are the key properties of benzyl(triethyl)azanium?
benzyl(triethyl)azanium has a molecular weight of 192.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triethyl)azanium is sourced from PubChem (CID 17208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).