1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone

C11H20N2O — CID 167748233

IUPAC1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN2C)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-5-11(6-9-13)4-3-7-12(11)2/h3-9H2,1-2H3
InChIKeyLXOPFKXZTNOAGX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds

About 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone

1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 167748233) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID167748233
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN2C)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-5-11(6-9-13)4-3-7-12(11)2/h3-9H2,1-2H3
InChIKeyLXOPFKXZTNOAGX-UHFFFAOYSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
1-methyl-1-azaspiro[3.3]heptane
CID 118001601
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
CID 167917016
1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 176675160
1-(4-iodo-4-methylazepan-1-yl)ethanone
CID 165143766
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295
2,5-dimethyl-2,5-diazaspiro[3.4]octane
CID 59187037
1-(azetidin-1-yl)ethanone
CID 14061673
1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 167748233) is 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone is CC(=O)N1CCC2(CCCN2C)CC1.
What is the InChIKey of 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is LXOPFKXZTNOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(14)13-8-5-11(6-9-13)4-3-7-12(11)2/h3-9H2,1-2H3.
What are the key properties of 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 167748233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).