3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane

C9H17NO2 — CID 112548499

IUPAC3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane
SMILESCC1COC2(CCCNC2)OC1
InChIInChI=1S/C9H17NO2/c1-8-5-11-9(12-6-8)3-2-4-10-7-9/h8,10H,2-7H2,1H3
InChIKeyJRPXMUQKHPDUDM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds

About 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane

3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane (PubChem CID 112548499) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane
PubChem CID112548499
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane
SMILESCC1COC2(CCCNC2)OC1
InChIInChI=1S/C9H17NO2/c1-8-5-11-9(12-6-8)3-2-4-10-7-9/h8,10H,2-7H2,1H3
InChIKeyJRPXMUQKHPDUDM-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167145423
2-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 177330076
4-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 57134012
(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
CID 178194845
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
N,N,3-trimethylpiperidin-3-amine
CID 117000006
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine
CID 57249972
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
3-methyl-1-oxa-8-azaspiro[4.5]decane;2-methylpropane
CID 144742113
1,1-dimethyl-2-oxa-9-azaspiro[4.5]decane
CID 126992193
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 140910769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane?
The IUPAC name of 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane (CID 112548499) is 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane is CC1COC2(CCCNC2)OC1.
What is the InChIKey of 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane?
The InChIKey is JRPXMUQKHPDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-5-11-9(12-6-8)3-2-4-10-7-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane?
3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane has a molecular weight of 171.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane is sourced from PubChem (CID 112548499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).