diethyl-bis(2-methylpropyl)azanium;hafnium

C12H28HfN+ — CID 174652205

IUPACdiethyl-bis(2-methylpropyl)azanium;hafnium
SMILESCC[N+](CC)(CC(C)C)CC(C)C.[Hf]
InChIInChI=1S/C12H28N.Hf/c1-7-13(8-2,9-11(3)4)10-12(5)6;/h11-12H,7-10H2,1-6H3;/q+1;
InChIKeyUSLOBNLRUNWRCY-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.15
Rot. Bonds6

About diethyl-bis(2-methylpropyl)azanium;hafnium

diethyl-bis(2-methylpropyl)azanium;hafnium (PubChem CID 174652205) has the molecular formula C12H28HfN+ and a molecular weight of 364.85 g/mol. Its IUPAC name is diethyl-bis(2-methylpropyl)azanium;hafnium.

Molecular Properties

Compound Namediethyl-bis(2-methylpropyl)azanium;hafnium
PubChem CID174652205
Molecular FormulaC12H28HfN+
Molecular Weight364.85 g/mol
Exact Mass366.17
IUPAC Namediethyl-bis(2-methylpropyl)azanium;hafnium
SMILESCC[N+](CC)(CC(C)C)CC(C)C.[Hf]
InChIInChI=1S/C12H28N.Hf/c1-7-13(8-2,9-11(3)4)10-12(5)6;/h11-12H,7-10H2,1-6H3;/q+1;
InChIKeyUSLOBNLRUNWRCY-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl-bis(2-methylpropyl)azanium;hafnium 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

ethyl-dihexyl-(2-methylpropyl)azanium
CID 87480234
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
CID 19814723
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
triethyl-(2-methyl-3-oxopropyl)azanium
CID 89178971
triethyl(2-nitrosopropyl)azanium
CID 91505361
propane-1,2-diolate;bis(tetraethylazanium)
CID 165390158
bis(tributyl(2-methylpropyl)azanium);carbonate
CID 175421775
ethyl-tris(6-methylheptyl)azanium
CID 19849312
tetraethylazanium;fluoride;dihydrate
CID 2776564
2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium
CID 174978465
(2-amino-2-chloroethyl)-triethylazanium
CID 57223153

Frequently Asked Questions

What is the IUPAC name of diethyl-bis(2-methylpropyl)azanium;hafnium?
The IUPAC name of diethyl-bis(2-methylpropyl)azanium;hafnium (CID 174652205) is diethyl-bis(2-methylpropyl)azanium;hafnium.
What is the SMILES notation for diethyl-bis(2-methylpropyl)azanium;hafnium?
The canonical SMILES for diethyl-bis(2-methylpropyl)azanium;hafnium is CC[N+](CC)(CC(C)C)CC(C)C.[Hf].
What is the InChIKey of diethyl-bis(2-methylpropyl)azanium;hafnium?
The InChIKey is USLOBNLRUNWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.Hf/c1-7-13(8-2,9-11(3)4)10-12(5)6;/h11-12H,7-10H2,1-6H3;/q+1;.
What are the key properties of diethyl-bis(2-methylpropyl)azanium;hafnium?
diethyl-bis(2-methylpropyl)azanium;hafnium has a molecular weight of 364.85 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(2-methylpropyl)azanium;hafnium is sourced from PubChem (CID 174652205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).