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

C12H22N2O — CID 89360270

IUPAC3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)CC(C(C)(C)C)=NO2
InChIInChI=1S/C12H22N2O/c1-11(2,3)10-9-12(15-13-10)5-7-14(4)8-6-12/h5-9H2,1-4H3
InChIKeySXHQTMAXNNEHEF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.27
Rot. Bonds

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

3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 89360270) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID89360270
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)CC(C(C)(C)C)=NO2
InChIInChI=1S/C12H22N2O/c1-11(2,3)10-9-12(15-13-10)5-7-14(4)8-6-12/h5-9H2,1-4H3
InChIKeySXHQTMAXNNEHEF-UHFFFAOYSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 89360270) is 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CN1CCC2(CC1)CC(C(C)(C)C)=NO2.
What is the InChIKey of 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is SXHQTMAXNNEHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,3)10-9-12(15-13-10)5-7-14(4)8-6-12/h5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 210.32 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 89360270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).