3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane

C15H29NO — CID 118404638

IUPAC3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C15H29NO/c1-12(2)14-5-6-15(17-11-14)7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyTXASYJIDMSQDHP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.31
Rot. Bonds2

About 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane

3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 118404638) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID118404638
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C15H29NO/c1-12(2)14-5-6-15(17-11-14)7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyTXASYJIDMSQDHP-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane 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 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane (CID 118404638) is 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane is CC(C)C1CCC2(CCN(C(C)C)CC2)OC1.
What is the InChIKey of 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is TXASYJIDMSQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-5-6-15(17-11-14)7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane?
3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118404638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).