2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane

C12H23NO — CID 169321917

IUPAC2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)CC1CC2(CCNCC2)O1
InChIInChI=1S/C12H23NO/c1-11(2,3)8-10-9-12(14-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyLSGMMAKIMCBUIP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane

2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 169321917) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane
PubChem CID169321917
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)CC1CC2(CCNCC2)O1
InChIInChI=1S/C12H23NO/c1-11(2,3)8-10-9-12(14-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyLSGMMAKIMCBUIP-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane (CID 169321917) is 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane is CC(C)(C)CC1CC2(CCNCC2)O1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is LSGMMAKIMCBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)8-10-9-12(14-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane?
2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 197.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 169321917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).