3-methyl-8-oxa-2,3-diazaspiro[4.5]decane

C8H16N2O — CID 118136765

IUPAC3-methyl-8-oxa-2,3-diazaspiro[4.5]decane
SMILESCN1CC2(CCOCC2)CN1
InChIInChI=1S/C8H16N2O/c1-10-7-8(6-9-10)2-4-11-5-3-8/h9H,2-7H2,1H3
InChIKeyWVCNOTACVJHDPO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.23
Rot. Bonds

About 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane

3-methyl-8-oxa-2,3-diazaspiro[4.5]decane (PubChem CID 118136765) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-oxa-2,3-diazaspiro[4.5]decane
PubChem CID118136765
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-methyl-8-oxa-2,3-diazaspiro[4.5]decane
SMILESCN1CC2(CCOCC2)CN1
InChIInChI=1S/C8H16N2O/c1-10-7-8(6-9-10)2-4-11-5-3-8/h9H,2-7H2,1H3
InChIKeyWVCNOTACVJHDPO-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane (CID 118136765) is 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane is CN1CC2(CCOCC2)CN1.
What is the InChIKey of 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane?
The InChIKey is WVCNOTACVJHDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-7-8(6-9-10)2-4-11-5-3-8/h9H,2-7H2,1H3.
What are the key properties of 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane?
3-methyl-8-oxa-2,3-diazaspiro[4.5]decane has a molecular weight of 156.23 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxa-2,3-diazaspiro[4.5]decane is sourced from PubChem (CID 118136765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).