5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane

C7H14N2O — CID 82417952

IUPAC5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCN1CCNCC12COC2
InChIInChI=1S/C7H14N2O/c1-9-3-2-8-4-7(9)5-10-6-7/h8H,2-6H2,1H3
InChIKeyNNRYNNIIXWCPSD-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.71
Rot. Bonds

About 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane

5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane (PubChem CID 82417952) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
PubChem CID82417952
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCN1CCNCC12COC2
InChIInChI=1S/C7H14N2O/c1-9-3-2-8-4-7(9)5-10-6-7/h8H,2-6H2,1H3
InChIKeyNNRYNNIIXWCPSD-UHFFFAOYSA-N
XLogP-0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane (CID 82417952) is 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane is CN1CCNCC12COC2.
What is the InChIKey of 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The InChIKey is NNRYNNIIXWCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-3-2-8-4-7(9)5-10-6-7/h8H,2-6H2,1H3.
What are the key properties of 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane has a molecular weight of 142.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxa-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 82417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).