1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone

C9H16N2O — CID 70326972

IUPAC1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-7(12)11-5-8-3-4-9(6-11)10(8)2/h8-9H,3-6H2,1-2H3
InChIKeyGMJGRJAEHUWBGO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.31
Rot. Bonds

About 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone

1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 70326972) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID70326972
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-7(12)11-5-8-3-4-9(6-11)10(8)2/h8-9H,3-6H2,1-2H3
InChIKeyGMJGRJAEHUWBGO-UHFFFAOYSA-N
XLogP0.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 167480115
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
2-chloro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)prop-2-en-1-one
CID 131002516
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
[(2R,3S)-3-cyclopropylaziridin-2-yl]-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 170055113
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone (CID 70326972) is 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone is CC(=O)N1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is GMJGRJAEHUWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)11-5-8-3-4-9(6-11)10(8)2/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 70326972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).