9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane

C8H15NO2 — CID 19106856

IUPAC9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1(C)CNCC12OCCO2
InChIInChI=1S/C8H15NO2/c1-7(2)5-9-6-8(7)10-3-4-11-8/h9H,3-6H2,1-2H3
InChIKeyAVAPPYUHAQVHGC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.36
Rot. Bonds

About 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane

9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 19106856) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID19106856
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1(C)CNCC12OCCO2
InChIInChI=1S/C8H15NO2/c1-7(2)5-9-6-8(7)10-3-4-11-8/h9H,3-6H2,1-2H3
InChIKeyAVAPPYUHAQVHGC-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 19106856) is 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane is CC1(C)CNCC12OCCO2.
What is the InChIKey of 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is AVAPPYUHAQVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)5-9-6-8(7)10-3-4-11-8/h9H,3-6H2,1-2H3.
What are the key properties of 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane?
9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 157.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 19106856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).