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

C14H26N2O — CID 58873419

IUPAC3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)N1CCC2(CC1)CC(C(C)(C)C)=NO2
InChIInChI=1S/C14H26N2O/c1-11(2)16-8-6-14(7-9-16)10-12(15-17-14)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyDWTRCGFUISXGRE-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.05
Rot. Bonds1

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

3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58873419) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58873419
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)N1CCC2(CC1)CC(C(C)(C)C)=NO2
InChIInChI=1S/C14H26N2O/c1-11(2)16-8-6-14(7-9-16)10-12(15-17-14)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyDWTRCGFUISXGRE-UHFFFAOYSA-N
XLogP3.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.05
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-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58873419) is 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)N1CCC2(CC1)CC(C(C)(C)C)=NO2.
What is the InChIKey of 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is DWTRCGFUISXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)16-8-6-14(7-9-16)10-12(15-17-14)13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 238.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58873419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).