4-[(8-Isobutyl-2,8-diazaspiro[4.5]dec-2-yl)methyl]benzaldehyde

HCID 86630102

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)CN1CCC2(CC1)CCN(Cc1ccc(C=O)cc1)C2
InChIKey: UQDYBCMWZOMHAS-UHFFFAOYSA-N
Molecular formula: C20H30N2O
Average molar mass: 314.5 g/mol

Names & identifiers

Preferred name: 4-[(8-Isobutyl-2,8-diazaspiro[4.5]dec-2-yl)methyl]benzaldehyde
IUPAC: 4-[[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzaldehyde

Names & synonyms

SCHEMBL4208875UQDYBCMWZOMHAS-UHFFFAOYSA-N4-[(8-isobutyl-2,8-diazaspiro[4.5]dec-2-yl)methyl]benzaldehyde

Database identifiers

PubChem CID: 86630102

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 379

Related reactions

7 records

New reaction record

HRID 212508As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 539399As reactantuspto-grants-2014_10

HRID 1567836As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1881749As reactantuspto-grants-2012_11

HRID 1915119As reactantuspto-grants-2013_12

HRID 2067722As reactantuspto-grants-2012_10

HRID 2124438As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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