3-(Cyclopentylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

HCID 45830

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Basic information

CAS: 63977-97-9
Standard SMILES: CCC(=O)N1C2CCC1CN(CC1CCCC1)C2
InChIKey: NZAVDKRFUVOTLS-UHFFFAOYSA-N
Molecular formula: C15H26N2O
Average molar mass: 250.38 g/mol
Monoisotopic mass: 250.20451346

Names & identifiers

Preferred name: 3-(Cyclopentylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane
IUPAC: 1-[3-(cyclopentylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Names & synonyms

3-(Cyclopentylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane63977-97-9BRN 05238131-[3-(cyclopentylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(CYCLOPENTYLMETHYL)-8-PROPIONYL-DTXSID60981447

Database identifiers

CAS: 63977-97-9
PubChem CID: 45830
DTXSID: DTXSID60981447
Nikkaji: J68.426K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 298

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