9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane

C14H27NO — CID 65122193

IUPAC9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC(C)(C)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H27NO/c1-4-13(2,3)12-5-7-14(8-6-12)11-15-9-10-16-14/h12,15H,4-11H2,1-3H3
InChIKeyHWPTWBPEZVVXTF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds2

About 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane

9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65122193) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65122193
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC(C)(C)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H27NO/c1-4-13(2,3)12-5-7-14(8-6-12)11-15-9-10-16-14/h12,15H,4-11H2,1-3H3
InChIKeyHWPTWBPEZVVXTF-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213640
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
CID 62775070
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122613
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 145241983
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
4-(2-methylbutan-2-yl)oxane
CID 91527752
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
2-(dimethylamino)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)acetamide
CID 165476665
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(2S)-2-tert-butyl-2-methylmorpholine
CID 129375602

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane (CID 65122193) is 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane is CCC(C)(C)C1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is HWPTWBPEZVVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-13(2,3)12-5-7-14(8-6-12)11-15-9-10-16-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 225.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65122193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).