7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane

C13H23NO — CID 70801841

IUPAC7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane
SMILESC1CCC(N2CCC3(CCCO3)C2)CC1
InChIInChI=1S/C13H23NO/c1-2-5-12(6-3-1)14-9-8-13(11-14)7-4-10-15-13/h12H,1-11H2
InChIKeyYMJOOYHNVHGYQC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.57
Rot. Bonds1

About 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane

7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 70801841) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID70801841
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane
SMILESC1CCC(N2CCC3(CCCO3)C2)CC1
InChIInChI=1S/C13H23NO/c1-2-5-12(6-3-1)14-9-8-13(11-14)7-4-10-15-13/h12H,1-11H2
InChIKeyYMJOOYHNVHGYQC-UHFFFAOYSA-N
XLogP2.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane (CID 70801841) is 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane is C1CCC(N2CCC3(CCCO3)C2)CC1.
What is the InChIKey of 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is YMJOOYHNVHGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-5-12(6-3-1)14-9-8-13(11-14)7-4-10-15-13/h12H,1-11H2.
What are the key properties of 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane?
7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 209.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 70801841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).