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

C9H17NO2 — CID 65122091

IUPAC2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CNCC2(CCOCC2)O1
InChIInChI=1S/C9H17NO2/c1-8-6-10-7-9(12-8)2-4-11-5-3-9/h8,10H,2-7H2,1H3
InChIKeyKFEHLGNNRIJKCV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds

About 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane

2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 65122091) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID65122091
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CNCC2(CCOCC2)O1
InChIInChI=1S/C9H17NO2/c1-8-6-10-7-9(12-8)2-4-11-5-3-9/h8,10H,2-7H2,1H3
InChIKeyKFEHLGNNRIJKCV-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-Dioxa-4-azaspiro(5.5)undecane
CID 65122347
[(4-Methoxyoxan-4-yl)methyl](methyl)amine
CID 58914620
2,2-Dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65127405
1-Methyl-2,6-dioxa-9-azaspiro(4.5)decane
CID 82717591
1,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 82719355
(3R,5R)-3-(tert-butoxy)-5-methoxypiperidine hydrochloride
CID 155820236
(3S,5S)-3-(tert-butoxy)-5-methoxypiperidine hydrochloride
CID 165908131
3-(Tert-butoxy)piperidine
CID 10558886
2,6-Dimethyl-2-[2-(2-morpholin-4-ylethoxy)propyl]morpholine
CID 19848026
2-[2-[2-(2,6-Dimethylmorpholin-4-yl)ethoxy]propyl]-2,6-dimethylmorpholine
CID 19848034
2-Methyl-2-[2-[2-(2-methylmorpholin-4-yl)ethoxy]propyl]morpholine
CID 19848040
4-(Ethoxymethyl)-3-methoxypiperidine
CID 20696752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane (CID 65122091) is 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane is CC1CNCC2(CCOCC2)O1.
What is the InChIKey of 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is KFEHLGNNRIJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-6-10-7-9(12-8)2-4-11-5-3-9/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane?
2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 171.24 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65122091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).