3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane

C11H19NO — CID 156712366

IUPAC3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESC1CCC(N2CC3CC(C2)O3)CC1
InChIInChI=1S/C11H19NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h9-11H,1-8H2
InChIKeyWIPSCVFSPCUGPO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.79
Rot. Bonds1

About 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane

3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 156712366) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID156712366
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESC1CCC(N2CC3CC(C2)O3)CC1
InChIInChI=1S/C11H19NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h9-11H,1-8H2
InChIKeyWIPSCVFSPCUGPO-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-3-azabicyclo[3.1.0]hexane
CID 142330158
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1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexan-1-amine
CID 79467716
1-cyclodecyl-3-methylazetidine
CID 155016918
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CID 67175459
4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine
CID 169436923
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutan-1-amine
CID 80561522
4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
CID 68577038
(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 153455906
3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 142374950
1-cyclopentylazetidin-3-ol
CID 56828199

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane (CID 156712366) is 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane is C1CCC(N2CC3CC(C2)O3)CC1.
What is the InChIKey of 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is WIPSCVFSPCUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h9-11H,1-8H2.
What are the key properties of 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane?
3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 181.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 156712366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).