1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone

C13H24N2O2 — CID 129497432

IUPAC1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
SMILESCCOC[C@H]1CN(C(=O)CNC)CC12CCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-9-11-8-15(12(16)7-14-2)10-13(11)5-4-6-13/h11,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGTPRVKKUBVUPIK-LLVKDONJSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds5

About 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone

1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone (PubChem CID 129497432) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
PubChem CID129497432
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
SMILESCCOC[C@H]1CN(C(=O)CNC)CC12CCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-9-11-8-15(12(16)7-14-2)10-13(11)5-4-6-13/h11,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGTPRVKKUBVUPIK-LLVKDONJSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
CID 129497219
2-(methylamino)-1-(9-methyl-6-azaspiro[3.5]nonan-6-yl)ethanone;hydrochloride
CID 120705667
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
CID 107220659
2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
CID 129495865
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
1-[(3aS,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-(methylamino)ethanone
CID 129497455
2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid
CID 121204407
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704458
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135101216

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone (CID 129497432) is 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone is CCOC[C@H]1CN(C(=O)CNC)CC12CCC2.
What is the InChIKey of 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The InChIKey is GTPRVKKUBVUPIK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-9-11-8-15(12(16)7-14-2)10-13(11)5-4-6-13/h11,14H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129497432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).