8-Acetyl-3-methyl-3,8-diazabicyclo(3.2.1)octane

HCID 45835

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Basic information

CAS: 63978-07-4
Standard SMILES: CC(=O)N1C2CCC1CN(C)C2
InChIKey: SWUJAINMZHBCAY-UHFFFAOYSA-N
Molecular formula: C9H16N2O
Average molar mass: 168.24 g/mol
Monoisotopic mass: 168.12626314

Names & identifiers

Preferred name: 8-Acetyl-3-methyl-3,8-diazabicyclo(3.2.1)octane
IUPAC: 1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
English name: 8-Acetyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C9H16N2O
Molecular weight: 168.24

Names & synonyms

63978-07-48-Acetyl-3-methyl-3,8-diazabicyclo(3.2.1)octane8-Acetyl-3-methyl-3,8-diazabicyclo[3.2.1]octaneBRN 06081843,8-DIAZABICYCLO(3.2.1)OCTANE, 8-ACETYL-3-METHYL-SCHEMBL15198072DTXSID30981454DB-3183841-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethan-1-oneEthanone, 1-(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)-

Database identifiers

CAS: 63978-07-4
PubChem CID: 45835
DTXSID: DTXSID30981454
Nikkaji: J68.397C

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 191

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