1,3-dimethoxy-7-azaspiro[3.5]nonane

C10H19NO2 — CID 146150415

IUPAC1,3-dimethoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC(OC)C12CCNCC2
InChIInChI=1S/C10H19NO2/c1-12-8-7-9(13-2)10(8)3-5-11-6-4-10/h8-9,11H,3-7H2,1-2H3
InChIKeyFDIOXRJXPSHRAB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.79
Rot. Bonds2

About 1,3-dimethoxy-7-azaspiro[3.5]nonane

1,3-dimethoxy-7-azaspiro[3.5]nonane (PubChem CID 146150415) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3-dimethoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1,3-dimethoxy-7-azaspiro[3.5]nonane
PubChem CID146150415
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,3-dimethoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC(OC)C12CCNCC2
InChIInChI=1S/C10H19NO2/c1-12-8-7-9(13-2)10(8)3-5-11-6-4-10/h8-9,11H,3-7H2,1-2H3
InChIKeyFDIOXRJXPSHRAB-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 1,3-dimethoxy-7-azaspiro[3.5]nonane (CID 146150415) is 1,3-dimethoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 1,3-dimethoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 1,3-dimethoxy-7-azaspiro[3.5]nonane is COC1CC(OC)C12CCNCC2.
What is the InChIKey of 1,3-dimethoxy-7-azaspiro[3.5]nonane?
The InChIKey is FDIOXRJXPSHRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-8-7-9(13-2)10(8)3-5-11-6-4-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethoxy-7-azaspiro[3.5]nonane?
1,3-dimethoxy-7-azaspiro[3.5]nonane has a molecular weight of 185.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 146150415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).