1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone

C13H22N2O2 — CID 592389

IUPAC1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2
InChIInChI=1S/C13H22N2O2/c1-10(16)14-6-12(3)5-13(4,7-14)9-15(8-12)11(2)17/h5-9H2,1-4H3
InChIKeySAEOBLSPCWUOCJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds

About 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone

1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (PubChem CID 592389) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
PubChem CID592389
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2
InChIInChI=1S/C13H22N2O2/c1-10(16)14-6-12(3)5-13(4,7-14)9-15(8-12)11(2)17/h5-9H2,1-4H3
InChIKeySAEOBLSPCWUOCJ-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-acetyl-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 12033482
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830
ethene;1-piperazin-1-ylethanone
CID 145071339
1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone
CID 156737312
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-[(4S)-3,3,4-trimethylpyrrolidin-1-yl]ethanone
CID 174295698
phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
CID 98177898
1-(azetidin-1-yl)ethanone
CID 14061673
1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
CID 131009500
1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 90766101
3,7-diacetyl-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 749531
2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
CID 167720226

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone?
The IUPAC name of 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (CID 592389) is 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone?
The canonical SMILES for 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone is CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2.
What is the InChIKey of 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone?
The InChIKey is SAEOBLSPCWUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(16)14-6-12(3)5-13(4,7-14)9-15(8-12)11(2)17/h5-9H2,1-4H3.
What are the key properties of 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone?
1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone is sourced from PubChem (CID 592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).