3-tert-butyl-1-oxa-8-azaspiro[4.5]decane

C12H23NO — CID 171431706

IUPAC3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)C1COC2(CCNCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,3)10-8-12(14-9-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyYBSULVXPTFTYHO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds

About 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane

3-tert-butyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 171431706) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID171431706
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)C1COC2(CCNCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,3)10-8-12(14-9-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyYBSULVXPTFTYHO-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-oxa-8-azaspiro[4.5]decane
CID 55280856
3-methyl-1-oxa-8-azaspiro[4.5]decane;2-methylpropane
CID 144742113
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 124703511
tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 125454461
tert-butyl 4-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperazine-1-carboxylate
CID 171767821
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
(3R,5R)-1-oxa-7-azaspiro[4.4]nonan-3-ol
CID 129389910
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832
1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
CID 102930688
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
7-oxa-3,10-diazaspiro[5.6]dodecane
CID 141353214

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane (CID 171431706) is 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane is CC(C)(C)C1COC2(CCNCC2)C1.
What is the InChIKey of 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YBSULVXPTFTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)10-8-12(14-9-10)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane?
3-tert-butyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 171431706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).