5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane

C9H17NO — CID 83959973

IUPAC5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC1CNCC(C)C12COC2
InChIInChI=1S/C9H17NO/c1-7-3-10-4-8(2)9(7)5-11-6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyYFMJWKWRZVFBSA-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds

About 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane

5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 83959973) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID83959973
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC1CNCC(C)C12COC2
InChIInChI=1S/C9H17NO/c1-7-3-10-4-8(2)9(7)5-11-6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyYFMJWKWRZVFBSA-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane (CID 83959973) is 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane is CC1CNCC(C)C12COC2.
What is the InChIKey of 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is YFMJWKWRZVFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-3-10-4-8(2)9(7)5-11-6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane?
5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 155.24 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 83959973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).