benzyl(trimethyl)azanium

C10H16N+ — CID 5964

IUPACbenzyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
InChIKeyYOUGRGFIHBUKRS-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.89
Rot. Bonds2

About benzyl(trimethyl)azanium

benzyl(trimethyl)azanium (PubChem CID 5964) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is benzyl(trimethyl)azanium.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium
PubChem CID5964
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Namebenzyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
InChIKeyYOUGRGFIHBUKRS-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.89
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(trimethyl)azanium?
The IUPAC name of benzyl(trimethyl)azanium (CID 5964) is benzyl(trimethyl)azanium.
What is the SMILES notation for benzyl(trimethyl)azanium?
The canonical SMILES for benzyl(trimethyl)azanium is C[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(trimethyl)azanium?
The InChIKey is YOUGRGFIHBUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1.
What are the key properties of benzyl(trimethyl)azanium?
benzyl(trimethyl)azanium has a molecular weight of 150.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium is sourced from PubChem (CID 5964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).