3-Benzyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

HCID 367171
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Basic information

Standard SMILES
CC(C)N1CC2CN(Cc3ccccc3)CC(C1)C2=O
InChIKey
OWWXIRVQYPEQML-UHFFFAOYSA-N
Molecular formula
C17H24N2O
Average molar mass
272.4 g/mol
Monoisotopic mass
272.18886339

Names & identifiers

Preferred name
3-Benzyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
IUPAC
3-benzyl-7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one

Names & synonyms

NSC6366657-benzyl-3-isopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one3-Benzyl-7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-9-oneSCHEMBL9265205CHEMBL1965333OWWXIRVQYPEQML-UHFFFAOYSA-NNSC-636665NCI60_012157

Database identifiers

PubChem CID
367171
ChEMBL
CHEMBL1965333
Nikkaji
J960.733A

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
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Compound notes

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