3-(2-(Cyclopentyl)ethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

HCID 45829

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Basic information

CAS: 63977-96-8
Standard SMILES: CCC(=O)N1C2CCC1CN(CCC1CCCC1)C2
InChIKey: XXPRYWVKIKJFRN-UHFFFAOYSA-N
Molecular formula: C16H28N2O
Average molar mass: 264.41 g/mol
Monoisotopic mass: 264.22016352

Names & identifiers

Preferred name: 3-(2-(Cyclopentyl)ethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane
IUPAC: 1-[3-(2-cyclopentylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
English name: 3-(2-Cyclopentylethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C16H28N2O
Molecular weight: 264.41

Names & synonyms

63977-96-8BRN 05292333-(2-(Cyclopentyl)ethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane1-[3-(2-cyclopentylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-(CYCLOPENTYL)ETHYL)-8-PROPIONYL-DTXSID009814463-(2-Cyclopentylethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octaneDB-3144481-Propanone, 1-[3-(2-cyclopentylethyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-

Database identifiers

CAS: 63977-96-8
PubChem CID: 45829
DTXSID: DTXSID00981446
Nikkaji: J68.425B

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 311

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