3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane

C13H25NO — CID 114494533

IUPAC3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C1(C)CNC2(CCCCC2)CO1
InChIInChI=1S/C13H25NO/c1-11(2)12(3)9-14-13(10-15-12)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyTVPNXTXRMCMAPF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds1

About 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane

3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 114494533) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID114494533
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C1(C)CNC2(CCCCC2)CO1
InChIInChI=1S/C13H25NO/c1-11(2)12(3)9-14-13(10-15-12)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyTVPNXTXRMCMAPF-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

16-oxa-8-azadispiro[5.2.59.26]hexadecane
CID 65213480
2-methyl-2-propan-2-yl-1,4-oxazepane
CID 114494521
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
2,5-dimethyl-5-phenyl-2-propan-2-ylmorpholine
CID 105058753
8-methyl-8-propan-2-yl-6,10-diazaspiro[4.6]undecane
CID 167294014
1-azaspiro[2.6]nonane;propane
CID 171101466
8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64884642
(2S)-2-ethyl-2-methyl-3-oxa-1-azaspiro[4.5]decane
CID 138970009
3-ethyl-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64883094
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64876284
2-methyl-2-propan-2-yl-1,3-oxazinane
CID 14342972

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane (CID 114494533) is 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane is CC(C)C1(C)CNC2(CCCCC2)CO1.
What is the InChIKey of 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is TVPNXTXRMCMAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)12(3)9-14-13(10-15-12)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane?
3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 211.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 114494533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).