trimethyl(1-phenylethyl)azanium;hydroiodide

C11H19IN+ — CID 126959602

IUPACtrimethyl(1-phenylethyl)azanium;hydroiodide
SMILESCC(c1ccccc1)[N+](C)(C)C.I
InChIInChI=1S/C11H18N.HI/c1-10(12(2,3)4)11-8-6-5-7-9-11;/h5-10H,1-4H3;1H/q+1;
InChIKeyYOCNHAYWAZXNAZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.07
Rot. Bonds2

About trimethyl(1-phenylethyl)azanium;hydroiodide

trimethyl(1-phenylethyl)azanium;hydroiodide (PubChem CID 126959602) has the molecular formula C11H19IN+ and a molecular weight of 292.18 g/mol. Its IUPAC name is trimethyl(1-phenylethyl)azanium;hydroiodide.

Molecular Properties

Compound Nametrimethyl(1-phenylethyl)azanium;hydroiodide
PubChem CID126959602
Molecular FormulaC11H19IN+
Molecular Weight292.18 g/mol
Exact Mass292.06
IUPAC Nametrimethyl(1-phenylethyl)azanium;hydroiodide
SMILESCC(c1ccccc1)[N+](C)(C)C.I
InChIInChI=1S/C11H18N.HI/c1-10(12(2,3)4)11-8-6-5-7-9-11;/h5-10H,1-4H3;1H/q+1;
InChIKeyYOCNHAYWAZXNAZ-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl(1-phenylethyl)azanium;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;trimethyl(1-phenylethyl)azanium;chloride
CID 174615232
dimethyl-phenyl-(1-phenylethyl)azanium hydroxide
CID 87491216
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621
[bromo(phenyl)methyl]-trimethylazanium
CID 174558850
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
benzyl-[1-[4-[1-[benzyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium
CID 89119591
ethane;1-phenylethylbenzene
CID 164998811
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylethyl)azanium;hydroiodide?
The IUPAC name of trimethyl(1-phenylethyl)azanium;hydroiodide (CID 126959602) is trimethyl(1-phenylethyl)azanium;hydroiodide.
What is the SMILES notation for trimethyl(1-phenylethyl)azanium;hydroiodide?
The canonical SMILES for trimethyl(1-phenylethyl)azanium;hydroiodide is CC(c1ccccc1)[N+](C)(C)C.I.
What is the InChIKey of trimethyl(1-phenylethyl)azanium;hydroiodide?
The InChIKey is YOCNHAYWAZXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.HI/c1-10(12(2,3)4)11-8-6-5-7-9-11;/h5-10H,1-4H3;1H/q+1;.
What are the key properties of trimethyl(1-phenylethyl)azanium;hydroiodide?
trimethyl(1-phenylethyl)azanium;hydroiodide has a molecular weight of 292.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylethyl)azanium;hydroiodide is sourced from PubChem (CID 126959602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).