ditert-butyl(dihydroxy)azanium

C8H20NO2+ — CID 163417202

IUPACditert-butyl(dihydroxy)azanium
SMILESCC(C)(C)[N+](O)(O)C(C)(C)C
InChIInChI=1S/C8H20NO2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3/q+1
InChIKeyOTOYESRPAIOJEA-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.18
Rot. Bonds

About ditert-butyl(dihydroxy)azanium

ditert-butyl(dihydroxy)azanium (PubChem CID 163417202) has the molecular formula C8H20NO2+ and a molecular weight of 162.25 g/mol. Its IUPAC name is ditert-butyl(dihydroxy)azanium.

Molecular Properties

Compound Nameditert-butyl(dihydroxy)azanium
PubChem CID163417202
Molecular FormulaC8H20NO2+
Molecular Weight162.25 g/mol
Exact Mass162.15
IUPAC Nameditert-butyl(dihydroxy)azanium
SMILESCC(C)(C)[N+](O)(O)C(C)(C)C
InChIInChI=1S/C8H20NO2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3/q+1
InChIKeyOTOYESRPAIOJEA-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ditert-butyl(dihydroxy)azanium 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 ditert-butyl(dihydroxy)azanium?
The IUPAC name of ditert-butyl(dihydroxy)azanium (CID 163417202) is ditert-butyl(dihydroxy)azanium.
What is the SMILES notation for ditert-butyl(dihydroxy)azanium?
The canonical SMILES for ditert-butyl(dihydroxy)azanium is CC(C)(C)[N+](O)(O)C(C)(C)C.
What is the InChIKey of ditert-butyl(dihydroxy)azanium?
The InChIKey is OTOYESRPAIOJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3/q+1.
What are the key properties of ditert-butyl(dihydroxy)azanium?
ditert-butyl(dihydroxy)azanium has a molecular weight of 162.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(dihydroxy)azanium is sourced from PubChem (CID 163417202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).