3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C17H32N2O — CID 58719591

IUPAC3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC(C(C)(C)C)=NO2)C(CC(C)(C)C)C1
InChIInChI=1S/C17H32N2O/c1-15(2,3)10-13-12-19(7)9-8-17(13)11-14(18-20-17)16(4,5)6/h13H,8-12H2,1-7H3
InChIKeyQZBLIENORYVEAD-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.94
Rot. Bonds1

About 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58719591) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58719591
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC(C(C)(C)C)=NO2)C(CC(C)(C)C)C1
InChIInChI=1S/C17H32N2O/c1-15(2,3)10-13-12-19(7)9-8-17(13)11-14(18-20-17)16(4,5)6/h13H,8-12H2,1-7H3
InChIKeyQZBLIENORYVEAD-UHFFFAOYSA-N
XLogP3.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene 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-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58719591) is 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CN1CCC2(CC(C(C)(C)C)=NO2)C(CC(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is QZBLIENORYVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2,3)10-13-12-19(7)9-8-17(13)11-14(18-20-17)16(4,5)6/h13H,8-12H2,1-7H3.
What are the key properties of 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 280.46 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2,2-dimethylpropyl)-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58719591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).