3-butan-2-yloxy-1-azabicyclo[2.2.2]octane

C11H21NO — CID 88985997

IUPAC3-butan-2-yloxy-1-azabicyclo[2.2.2]octane
SMILESCCC(C)OC1CN2CCC1CC2
InChIInChI=1S/C11H21NO/c1-3-9(2)13-11-8-12-6-4-10(11)5-7-12/h9-11H,3-8H2,1-2H3
InChIKeyUCBLNHZTWVCHAX-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds3

About 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane

3-butan-2-yloxy-1-azabicyclo[2.2.2]octane (PubChem CID 88985997) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-butan-2-yloxy-1-azabicyclo[2.2.2]octane
PubChem CID88985997
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-butan-2-yloxy-1-azabicyclo[2.2.2]octane
SMILESCCC(C)OC1CN2CCC1CC2
InChIInChI=1S/C11H21NO/c1-3-9(2)13-11-8-12-6-4-10(11)5-7-12/h9-11H,3-8H2,1-2H3
InChIKeyUCBLNHZTWVCHAX-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

[1-(1-azabicyclo[2.2.2]octan-3-yloxy)-2,3-dihydroxypropyl] propanoate
CID 67862663
1-azabicyclo[2.2.2]octan-3-yloxy(trimethyl)silane
CID 524282
3-(2,2-dimethylpropoxy)-1-azabicyclo[2.2.2]octane
CID 155249477
1-azabicyclo[2.2.2]octan-3-yl 2-propylpentanoate;hydrochloride
CID 177370629
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364480
3-ethoxy-1-azabicyclo[2.2.1]heptane
CID 19848684
1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride
CID 17141162
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
CID 101160976
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] hexanoate
CID 101253937
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-phenylpropanoate
CID 144638538

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane (CID 88985997) is 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane is CCC(C)OC1CN2CCC1CC2.
What is the InChIKey of 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane?
The InChIKey is UCBLNHZTWVCHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)13-11-8-12-6-4-10(11)5-7-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane?
3-butan-2-yloxy-1-azabicyclo[2.2.2]octane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 88985997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).