ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone

C13H25NO — CID 169125133

IUPACethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
SMILESCC.CC(=O)N1CC[C@H](C)CC12CCC2
InChIInChI=1S/C11H19NO.C2H6/c1-9-4-7-12(10(2)13)11(8-9)5-3-6-11;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyDCJAATSGLSHONP-FVGYRXGTSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds

About ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone

ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone (PubChem CID 169125133) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
PubChem CID169125133
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
SMILESCC.CC(=O)N1CC[C@H](C)CC12CCC2
InChIInChI=1S/C11H19NO.C2H6/c1-9-4-7-12(10(2)13)11(8-9)5-3-6-11;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyDCJAATSGLSHONP-FVGYRXGTSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8S)-5-cyclopropyl-8-methyl-5-azaspiro[3.5]nonane;ethane
CID 169125922
1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
CID 165398573
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 176769050
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
4-cyclobutyl-7-methyl-4-azaspiro[2.5]octane
CID 168902465
4-iodo-7-methyl-4-azaspiro[2.5]octane
CID 145095628
1-(5-methylspiro[4,5,6,7,8,9-hexahydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 24870079
1-[(3R,5S)-5-methyl-1-oxa-2-azaspiro[2.5]octan-2-yl]ethanone
CID 45086479
1-[(3R)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
CID 124641818
1-[3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
CID 73440382

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone?
The IUPAC name of ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone (CID 169125133) is ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone.
What is the SMILES notation for ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone?
The canonical SMILES for ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone is CC.CC(=O)N1CC[C@H](C)CC12CCC2.
What is the InChIKey of ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone?
The InChIKey is DCJAATSGLSHONP-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-9-4-7-12(10(2)13)11(8-9)5-3-6-11;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1.
What are the key properties of ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone?
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone has a molecular weight of 211.35 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone is sourced from PubChem (CID 169125133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).