trimethyl(2-phenylethyl)azanium

C11H18N+ — CID 14108

IUPACtrimethyl(2-phenylethyl)azanium
SMILESC[N+](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18N/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyXYUGFPLAOGMREF-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.94
Rot. Bonds3

About trimethyl(2-phenylethyl)azanium

trimethyl(2-phenylethyl)azanium (PubChem CID 14108) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is trimethyl(2-phenylethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-phenylethyl)azanium
PubChem CID14108
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Nametrimethyl(2-phenylethyl)azanium
SMILESC[N+](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18N/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyXYUGFPLAOGMREF-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.94
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 trimethyl(2-phenylethyl)azanium?
The IUPAC name of trimethyl(2-phenylethyl)azanium (CID 14108) is trimethyl(2-phenylethyl)azanium.
What is the SMILES notation for trimethyl(2-phenylethyl)azanium?
The canonical SMILES for trimethyl(2-phenylethyl)azanium is C[N+](C)(C)CCc1ccccc1.
What is the InChIKey of trimethyl(2-phenylethyl)azanium?
The InChIKey is XYUGFPLAOGMREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1.
What are the key properties of trimethyl(2-phenylethyl)azanium?
trimethyl(2-phenylethyl)azanium has a molecular weight of 164.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenylethyl)azanium is sourced from PubChem (CID 14108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).