1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

C9H18N2O — CID 82412329

IUPAC1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCN1CCNCC12CCOCC2
InChIInChI=1S/C9H18N2O/c1-11-5-4-10-8-9(11)2-6-12-7-3-9/h10H,2-8H2,1H3
InChIKeyGPJFHASOAPGDOH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds

About 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 82412329) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID82412329
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCN1CCNCC12CCOCC2
InChIInChI=1S/C9H18N2O/c1-11-5-4-10-8-9(11)2-6-12-7-3-9/h10H,2-8H2,1H3
InChIKeyGPJFHASOAPGDOH-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (CID 82412329) is 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is CN1CCNCC12CCOCC2.
What is the InChIKey of 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is GPJFHASOAPGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-5-4-10-8-9(11)2-6-12-7-3-9/h10H,2-8H2,1H3.
What are the key properties of 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 170.26 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82412329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).