4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C11H22N2O — CID 130315957

IUPAC4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C11H22N2O/c1-10(2)13-6-7-14-11(9-13)4-3-5-12-8-11/h10,12H,3-9H2,1-2H3
InChIKeyCBRYRACEYNETNX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 130315957) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID130315957
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C11H22N2O/c1-10(2)13-6-7-14-11(9-13)4-3-5-12-8-11/h10,12H,3-9H2,1-2H3
InChIKeyCBRYRACEYNETNX-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
CID 171748509
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
(6S)-4-cyclohexyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372335
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane
CID 171423140
1-oxa-9-azaspiro[3.6]decane
CID 118209885
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167602372
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 130315957) is 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is CC(C)N1CCOC2(CCCNC2)C1.
What is the InChIKey of 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is CBRYRACEYNETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)13-6-7-14-11(9-13)4-3-5-12-8-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 130315957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).