11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane

C9H17NO2 — CID 130991851

IUPAC11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane
SMILESCC1COCCC12COCCN2
InChIInChI=1S/C9H17NO2/c1-8-6-11-4-2-9(8)7-12-5-3-10-9/h8,10H,2-7H2,1H3
InChIKeyMXQOSBKFEOAZQV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds

About 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane

11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane (PubChem CID 130991851) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane
PubChem CID130991851
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane
SMILESCC1COCCC12COCCN2
InChIInChI=1S/C9H17NO2/c1-8-6-11-4-2-9(8)7-12-5-3-10-9/h8,10H,2-7H2,1H3
InChIKeyMXQOSBKFEOAZQV-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 172612239
5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
CID 174191568
7-oxa-4-azaspiro[2.5]octane;hydrochloride
CID 22342972
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
(6S)-5,6-dimethyl-1,4-oxazepane
CID 166079644
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
2-methyl-7-oxa-1-azaspiro[4.4]nonane
CID 83479109
2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 138987845
3-methylmorpholine;hydrobromide
CID 173415172
ethane;(3S)-3-methylmorpholine
CID 145275253
3-tert-butyl-3-propan-2-ylmorpholine
CID 163451578

Frequently Asked Questions

What is the IUPAC name of 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane?
The IUPAC name of 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane (CID 130991851) is 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane is CC1COCCC12COCCN2.
What is the InChIKey of 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane?
The InChIKey is MXQOSBKFEOAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-6-11-4-2-9(8)7-12-5-3-10-9/h8,10H,2-7H2,1H3.
What are the key properties of 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane?
11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane has a molecular weight of 171.24 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 130991851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).