6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane

C12H21NO — CID 176800763

IUPAC6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane
SMILESCC(C)(C)C12CCCN1C1CC2CO1
InChIInChI=1S/C12H21NO/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-14-10/h9-10H,4-8H2,1-3H3
InChIKeyVBFXSPOUZCQTOX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds

About 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane

6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane (PubChem CID 176800763) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane
PubChem CID176800763
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane
SMILESCC(C)(C)C12CCCN1C1CC2CO1
InChIInChI=1S/C12H21NO/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-14-10/h9-10H,4-8H2,1-3H3
InChIKeyVBFXSPOUZCQTOX-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane 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

6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane
CID 176800872
6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
CID 176800715
8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164798952
(3S,7aS)-3-tert-butyl-7a-cyclopropyl-3,5,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-one
CID 169131301
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
CID 176747824
1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
1-tert-butyl-2,3,3-trimethylpiperidine
CID 134197501
6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane
CID 176800835
7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 71436217
(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 58181072
8-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176568432
[(3S,8S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 156598778

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane (CID 176800763) is 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane is CC(C)(C)C12CCCN1C1CC2CO1.
What is the InChIKey of 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane?
The InChIKey is VBFXSPOUZCQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-14-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane?
6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane has a molecular weight of 195.31 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-oxa-2-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 176800763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).