4-methyl-3-oxa-8-azaspiro[5.6]dodecane

C11H21NO — CID 116526031

IUPAC4-methyl-3-oxa-8-azaspiro[5.6]dodecane
SMILESCC1CC2(CCCCNC2)CCO1
InChIInChI=1S/C11H21NO/c1-10-8-11(5-7-13-10)4-2-3-6-12-9-11/h10,12H,2-9H2,1H3
InChIKeyYXAYUJXNWRRZML-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds

About 4-methyl-3-oxa-8-azaspiro[5.6]dodecane

4-methyl-3-oxa-8-azaspiro[5.6]dodecane (PubChem CID 116526031) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-3-oxa-8-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-methyl-3-oxa-8-azaspiro[5.6]dodecane
PubChem CID116526031
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-3-oxa-8-azaspiro[5.6]dodecane
SMILESCC1CC2(CCCCNC2)CCO1
InChIInChI=1S/C11H21NO/c1-10-8-11(5-7-13-10)4-2-3-6-12-9-11/h10,12H,2-9H2,1H3
InChIKeyYXAYUJXNWRRZML-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-azaspiro[4.6]undecane
CID 75488634
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788
3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382376
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382412
2-oxa-9-azaspiro[4.5]decane
CID 21050542
2-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 177330076
6-azaspiro[3.5]nonan-2-ol
CID 154733338
2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane
CID 134228301
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane
CID 102849291
2,9-diazaspiro[4.5]decane;methane
CID 143578856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxa-8-azaspiro[5.6]dodecane?
The IUPAC name of 4-methyl-3-oxa-8-azaspiro[5.6]dodecane (CID 116526031) is 4-methyl-3-oxa-8-azaspiro[5.6]dodecane.
What is the SMILES notation for 4-methyl-3-oxa-8-azaspiro[5.6]dodecane?
The canonical SMILES for 4-methyl-3-oxa-8-azaspiro[5.6]dodecane is CC1CC2(CCCCNC2)CCO1.
What is the InChIKey of 4-methyl-3-oxa-8-azaspiro[5.6]dodecane?
The InChIKey is YXAYUJXNWRRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-8-11(5-7-13-10)4-2-3-6-12-9-11/h10,12H,2-9H2,1H3.
What are the key properties of 4-methyl-3-oxa-8-azaspiro[5.6]dodecane?
4-methyl-3-oxa-8-azaspiro[5.6]dodecane has a molecular weight of 183.29 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxa-8-azaspiro[5.6]dodecane is sourced from PubChem (CID 116526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).