2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium

C10H25N2O+ — CID 57157879

IUPAC2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium
SMILESCC(OCC[N+](C)(C)C)C(C)(C)N
InChIInChI=1S/C10H25N2O/c1-9(10(2,3)11)13-8-7-12(4,5)6/h9H,7-8,11H2,1-6H3/q+1
InChIKeyYWJXNIHCHABVRM-UHFFFAOYSA-N
MW189.32 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium

2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium (PubChem CID 57157879) has the molecular formula C10H25N2O+ and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium
PubChem CID57157879
Molecular FormulaC10H25N2O+
Molecular Weight189.32 g/mol
Exact Mass189.20
IUPAC Name2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium
SMILESCC(OCC[N+](C)(C)C)C(C)(C)N
InChIInChI=1S/C10H25N2O/c1-9(10(2,3)11)13-8-7-12(4,5)6/h9H,7-8,11H2,1-6H3/q+1
InChIKeyYWJXNIHCHABVRM-UHFFFAOYSA-N
XLogP0.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium?
The IUPAC name of 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium (CID 57157879) is 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium.
What is the SMILES notation for 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium?
The canonical SMILES for 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium is CC(OCC[N+](C)(C)C)C(C)(C)N.
What is the InChIKey of 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium?
The InChIKey is YWJXNIHCHABVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N2O/c1-9(10(2,3)11)13-8-7-12(4,5)6/h9H,7-8,11H2,1-6H3/q+1.
What are the key properties of 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium?
2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium has a molecular weight of 189.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutan-2-yl)oxyethyl-trimethylazanium is sourced from PubChem (CID 57157879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).