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4-[3-(1H-indol-3-yl)propylidene]-1-butyl-N,N-dimethylcyclohexanamine

HCID 68640697
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Basic information

Standard SMILES
CCCCC1(N(C)C)CCC(=CCCc2c[nH]c3ccccc23)CC1
InChIKey
SYOOOMNYGVUHGG-UHFFFAOYSA-N
Molecular formula
C23H34N2
Average molar mass
338.5 g/mol

Names & identifiers

Preferred name
4-[3-(1H-indol-3-yl)propylidene]-1-butyl-N,N-dimethylcyclohexanamine
IUPAC
1-butyl-4-[3-(1H-indol-3-yl)propylidene]-N,N-dimethylcyclohexan-1-amine

Names & synonyms

SCHEMBL3432802SYOOOMNYGVUHGG-UHFFFAOYSA-N4-[3-(1H-indol-3-yl)propylidene]-1-butyl-N,N-dimethylcyclohexanamine

Database identifiers

PubChem CID
68640697

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
19 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
429

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Related reactions

2 records
New reaction record
HRID 696834 reaction equation
HRID 696834As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2064525 reaction equation
HRID 2064525As reactantuspto-grants-2012_10

Compound notes

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