7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane

C12H23NO — CID 58266309

IUPAC7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)CN1CCC2(CC1)COC2
InChIInChI=1S/C12H23NO/c1-11(2,3)8-13-6-4-12(5-7-13)9-14-10-12/h4-10H2,1-3H3
InChIKeyIAROFJBLSNXJNN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane

7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 58266309) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane
PubChem CID58266309
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)CN1CCC2(CC1)COC2
InChIInChI=1S/C12H23NO/c1-11(2,3)8-13-6-4-12(5-7-13)9-14-10-12/h4-10H2,1-3H3
InChIKeyIAROFJBLSNXJNN-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane (CID 58266309) is 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane is CC(C)(C)CN1CCC2(CC1)COC2.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is IAROFJBLSNXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)8-13-6-4-12(5-7-13)9-14-10-12/h4-10H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane?
7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 58266309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).