8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane

C11H21NO — CID 90140980

IUPAC8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-11(2,3)8-12-9-4-5-10(12)7-13-6-9/h9-10H,4-8H2,1-3H3
InChIKeyKFQDUIMZUWIWEA-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 90140980) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID90140980
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-11(2,3)8-12-9-4-5-10(12)7-13-6-9/h9-10H,4-8H2,1-3H3
InChIKeyKFQDUIMZUWIWEA-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane 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 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 90140980) is 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)(C)CN1C2CCC1COC2.
What is the InChIKey of 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is KFQDUIMZUWIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)8-12-9-4-5-10(12)7-13-6-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90140980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).