ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone

C18H39NO — CID 143643613

IUPACethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
SMILESCC.CC.CC.CC(=O)[C@@H]1CC2(CN1C)CC(C)(C)C2
InChIInChI=1S/C12H21NO.3C2H6/c1-9(14)10-5-12(8-13(10)4)6-11(2,3)7-12;3*1-2/h10H,5-8H2,1-4H3;3*1-2H3/t10-;;;/m0.../s1
InChIKeyAWXJQXCEDHIGRW-KAFJHEIMSA-N
MW285.52 g/mol
LogP5.16
Rot. Bonds1

About ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone

ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone (PubChem CID 143643613) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
PubChem CID143643613
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Nameethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
SMILESCC.CC.CC.CC(=O)[C@@H]1CC2(CN1C)CC(C)(C)C2
InChIInChI=1S/C12H21NO.3C2H6/c1-9(14)10-5-12(8-13(10)4)6-11(2,3)7-12;3*1-2/h10H,5-8H2,1-4H3;3*1-2H3/t10-;;;/m0.../s1
InChIKeyAWXJQXCEDHIGRW-KAFJHEIMSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
CID 177059693
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
CID 143738811
(7R)-2,2,6,7-tetramethyl-6-azaspiro[3.4]octane
CID 167522004
(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 89263594
1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
1-[(3S,4aS,6R,8aR)-6-hydroxy-2,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-3-yl]ethanone
CID 58845241
carbanide;dichloro(ethylidene)ruthenium;1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone;1-[(2S)-1-methyl-4,4-bis(prop-2-enyl)pyrrolidin-2-yl]ethanone
CID 158635427

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone (CID 143643613) is ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone is CC.CC.CC.CC(=O)[C@@H]1CC2(CN1C)CC(C)(C)C2.
What is the InChIKey of ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is AWXJQXCEDHIGRW-KAFJHEIMSA-N. The full InChI is InChI=1S/C12H21NO.3C2H6/c1-9(14)10-5-12(8-13(10)4)6-11(2,3)7-12;3*1-2/h10H,5-8H2,1-4H3;3*1-2H3/t10-;;;/m0.../s1.
What are the key properties of ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone?
ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 285.52 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 143643613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).