3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane

C12H21NO — CID 170394869

IUPAC3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C1)N2C1COC1
InChIInChI=1S/C12H21NO/c1-12(2)5-9-3-4-10(6-12)13(9)11-7-14-8-11/h9-11H,3-8H2,1-2H3
InChIKeyUOPCPWLKZCCJFR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds1

About 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane

3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 170394869) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane
PubChem CID170394869
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C1)N2C1COC1
InChIInChI=1S/C12H21NO/c1-12(2)5-9-3-4-10(6-12)13(9)11-7-14-8-11/h9-11H,3-8H2,1-2H3
InChIKeyUOPCPWLKZCCJFR-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893342
ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
CID 163257599
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane
CID 159654243
8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 156837988
N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 103968392
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 163236345
1-(3,3-dimethylcyclobutyl)-N-methylpiperidin-4-amine
CID 130865497
N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63361717
8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 131971586
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane (CID 170394869) is 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane is CC1(C)CC2CCC(C1)N2C1COC1.
What is the InChIKey of 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is UOPCPWLKZCCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2)5-9-3-4-10(6-12)13(9)11-7-14-8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane?
3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 195.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170394869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).