7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

C11H21NO2 — CID 140929393

IUPAC7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCC(C)(C)N1CC2COCC(C1)C2O
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-10,13H,4-7H2,1-3H3
InChIKeyFAIHZMLZADLBSJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.72
Rot. Bonds

About 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 140929393) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
PubChem CID140929393
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCC(C)(C)N1CC2COCC(C1)C2O
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-10,13H,4-7H2,1-3H3
InChIKeyFAIHZMLZADLBSJ-UHFFFAOYSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol 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 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (CID 140929393) is 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is CC(C)(C)N1CC2COCC(C1)C2O.
What is the InChIKey of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is FAIHZMLZADLBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 199.29 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 140929393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).