3-Benzoyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane

HCID 195817

Notes Reactions

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Basic information

Standard SMILES: CC(C)N1CC2CC(CN(C(=O)c3ccccc3)C2)C1
InChIKey: UXOFXTUCXRNLFA-UHFFFAOYSA-N
Molecular formula: C17H24N2O
Average molar mass: 272.4 g/mol

Names & identifiers

Preferred name: 3-Benzoyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane
IUPAC: phenyl-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

Names & synonyms

NSC6442463-Benzoyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonaneSCHEMBL6319408CHEMBL2008232UXOFXTUCXRNLFA-UHFFFAOYSA-NNCI60_014991(7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenyl-methanonePerchloric acid compound with 3-benzoyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane (1:1)

Database identifiers

PubChem CID: 195817
ChEMBL: CHEMBL2008232
Nikkaji: J513.409I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 335

Related reactions

2 records

New reaction record

HRID 1091192As productuspto-grants-1992_01

HRID 1195222As productuspto-grants-1992_05

Compound notes

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