3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C11H20N2O — CID 90249053

IUPAC3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)9-8-11(14-13-9)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyBMIPXACWKBCWAI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.93
Rot. Bonds

About 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 90249053) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID90249053
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)9-8-11(14-13-9)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyBMIPXACWKBCWAI-UHFFFAOYSA-N
XLogP1.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-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-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 90249053) is 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)(C)C1=NOC2(CCNCC2)C1.
What is the InChIKey of 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is BMIPXACWKBCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)9-8-11(14-13-9)4-6-12-7-5-11/h12H,4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 196.29 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 90249053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).