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

C9H16N2O — CID 10176302

IUPAC2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
SMILESCC1=NC2(CCN(C)CC2)CO1
InChIInChI=1S/C9H16N2O/c1-8-10-9(7-12-8)3-5-11(2)6-4-9/h3-7H2,1-2H3
InChIKeyVGPXROMBXGVRRS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.90
Rot. Bonds

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

2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene (PubChem CID 10176302) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
PubChem CID10176302
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
SMILESCC1=NC2(CCN(C)CC2)CO1
InChIInChI=1S/C9H16N2O/c1-8-10-9(7-12-8)3-5-11(2)6-4-9/h3-7H2,1-2H3
InChIKeyVGPXROMBXGVRRS-UHFFFAOYSA-N
XLogP0.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The IUPAC name of 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene (CID 10176302) is 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene.
What is the SMILES notation for 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The canonical SMILES for 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene is CC1=NC2(CCN(C)CC2)CO1.
What is the InChIKey of 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The InChIKey is VGPXROMBXGVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-10-9(7-12-8)3-5-11(2)6-4-9/h3-7H2,1-2H3.
What are the key properties of 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene has a molecular weight of 168.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene is sourced from PubChem (CID 10176302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).