ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

C14H27NO2 — CID 164867774

IUPACethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESCC.CC(=O)N1CC2(CC(C(C)C)CCO2)C1
InChIInChI=1S/C12H21NO2.C2H6/c1-9(2)11-4-5-15-12(6-11)7-13(8-12)10(3)14;1-2/h9,11H,4-8H2,1-3H3;1-2H3
InChIKeyMABGWGSVLAGOQF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds1

About ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 164867774) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
PubChem CID164867774
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESCC.CC(=O)N1CC2(CC(C(C)C)CCO2)C1
InChIInChI=1S/C12H21NO2.C2H6/c1-9(2)11-4-5-15-12(6-11)7-13(8-12)10(3)14;1-2/h9,11H,4-8H2,1-3H3;1-2H3
InChIKeyMABGWGSVLAGOQF-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 169125493
2,2-diethyl-4-methyloxane;ethane;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;propan-2-one
CID 169125959
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 155238981
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 167480115
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
(2S)-2-chloro-1-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129498595

Frequently Asked Questions

What is the IUPAC name of ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (CID 164867774) is ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is CC.CC(=O)N1CC2(CC(C(C)C)CCO2)C1.
What is the InChIKey of ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is MABGWGSVLAGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.C2H6/c1-9(2)11-4-5-15-12(6-11)7-13(8-12)10(3)14;1-2/h9,11H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 241.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 164867774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).