3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane

C12H23NO — CID 15441183

IUPAC3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane
SMILESCC1CCCCC12NCC(C)(C)CO2
InChIInChI=1S/C12H23NO/c1-10-6-4-5-7-12(10)13-8-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3
InChIKeyLXUSRCZKAICSLY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.54
Rot. Bonds

About 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane

3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane (PubChem CID 15441183) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane
PubChem CID15441183
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane
SMILESCC1CCCCC12NCC(C)(C)CO2
InChIInChI=1S/C12H23NO/c1-10-6-4-5-7-12(10)13-8-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3
InChIKeyLXUSRCZKAICSLY-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane?
The IUPAC name of 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane (CID 15441183) is 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane.
What is the SMILES notation for 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane?
The canonical SMILES for 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane is CC1CCCCC12NCC(C)(C)CO2.
What is the InChIKey of 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane?
The InChIKey is LXUSRCZKAICSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-6-4-5-7-12(10)13-8-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane?
3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,11-trimethyl-1-oxa-5-azaspiro[5.5]undecane is sourced from PubChem (CID 15441183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).