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

C9H18N2O — CID 139502127

IUPAC3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1COC2(CCNCC2)CN1
InChIInChI=1S/C9H18N2O/c1-8-6-12-9(7-11-8)2-4-10-5-3-9/h8,10-11H,2-7H2,1H3
InChIKeyDFXIOVLANDBKQP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.12
Rot. Bonds

About 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 139502127) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID139502127
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1COC2(CCNCC2)CN1
InChIInChI=1S/C9H18N2O/c1-8-6-12-9(7-11-8)2-4-10-5-3-9/h8,10-11H,2-7H2,1H3
InChIKeyDFXIOVLANDBKQP-UHFFFAOYSA-N
XLogP0.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 139502127) is 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CC1COC2(CCNCC2)CN1.
What is the InChIKey of 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DFXIOVLANDBKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-6-12-9(7-11-8)2-4-10-5-3-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 170.26 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 139502127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).