3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane

C15H27NO — CID 114199641

IUPAC3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane
SMILESCC1CC(C)CC(OC2CC3CCC(C2)N3)C1
InChIInChI=1S/C15H27NO/c1-10-5-11(2)7-14(6-10)17-15-8-12-3-4-13(9-15)16-12/h10-16H,3-9H2,1-2H3
InChIKeyADFOOPUCJJOLBK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds2

About 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane

3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane (PubChem CID 114199641) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane
PubChem CID114199641
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane
SMILESCC1CC(C)CC(OC2CC3CCC(C2)N3)C1
InChIInChI=1S/C15H27NO/c1-10-5-11(2)7-14(6-10)17-15-8-12-3-4-13(9-15)16-12/h10-16H,3-9H2,1-2H3
InChIKeyADFOOPUCJJOLBK-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane (CID 114199641) is 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane is CC1CC(C)CC(OC2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane?
The InChIKey is ADFOOPUCJJOLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-5-11(2)7-14(6-10)17-15-8-12-3-4-13(9-15)16-12/h10-16H,3-9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane?
3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane has a molecular weight of 237.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114199641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).