4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal

HCID 45840

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Basic information

CAS: 63978-13-2
Standard SMILES: CN1CC2CCC(C1)N2CCCC=O
InChIKey: QBIRHXLZDJKXRU-UHFFFAOYSA-N
Molecular formula: C11H20N2O
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.15756327

Names & identifiers

Preferred name: 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
IUPAC: 4-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
English name: 8-Butyryl-3-methyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C11H20N2O
Molecular weight: 196.29

Names & synonyms

63978-13-2BRN 06094704-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanalDTXSID409814603,8-DIAZABICYCLO(3.2.1)OCTANE, 8-BUTYRYL-3-METHYL-8-Butyryl-3-methyl-3,8-diazabicyclo[3.2.1]octane1-Butanone, 1-(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)-

Database identifiers

CAS: 63978-13-2
PubChem CID: 45840
DTXSID: DTXSID40981460

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 193

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