benzyl-ethyl-dimethylazanium;methane

C12H22N+ — CID 169432077

IUPACbenzyl-ethyl-dimethylazanium;methane
SMILESC.CC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C11H18N.CH4/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H4/q+1;
InChIKeyZRZUORZVTHORHB-UHFFFAOYSA-N
MW180.31 g/mol
LogP2.92
Rot. Bonds3

About benzyl-ethyl-dimethylazanium;methane

benzyl-ethyl-dimethylazanium;methane (PubChem CID 169432077) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is benzyl-ethyl-dimethylazanium;methane.

Molecular Properties

Compound Namebenzyl-ethyl-dimethylazanium;methane
PubChem CID169432077
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Namebenzyl-ethyl-dimethylazanium;methane
SMILESC.CC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C11H18N.CH4/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H4/q+1;
InChIKeyZRZUORZVTHORHB-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzyl-ethyl-dimethylazanium;methane 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;benzyl-ethyl-dimethylazanium;chloride
CID 174615231
benzyl-ethyl-dimethylazanium;mercury;chloride
CID 174604450
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
dibenzyl-ethyl-methylazanium
CID 87490135
benzyl-dimethyl-propylazanium;boranuide
CID 173258032
benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;dibromide;dihydrate
CID 139074114
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
CID 87882196
CID 87882196
benzyl(trimethyl)azanium;diethyl(dimethyl)azanium;2-hydroxyethyl(trimethyl)azanium;trihydroxide
CID 174797972
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-dimethylazanium;methane?
The IUPAC name of benzyl-ethyl-dimethylazanium;methane (CID 169432077) is benzyl-ethyl-dimethylazanium;methane.
What is the SMILES notation for benzyl-ethyl-dimethylazanium;methane?
The canonical SMILES for benzyl-ethyl-dimethylazanium;methane is C.CC[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-dimethylazanium;methane?
The InChIKey is ZRZUORZVTHORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.CH4/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H4/q+1;.
What are the key properties of benzyl-ethyl-dimethylazanium;methane?
benzyl-ethyl-dimethylazanium;methane has a molecular weight of 180.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-dimethylazanium;methane is sourced from PubChem (CID 169432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).