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3-(Cyclohexen-1-yl)aniline

HCID 6709749
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cccc(C2=CCCCC2)c1
InChIKey
JBNMSYCLKLNRAP-UHFFFAOYSA-N
Molecular formula
C12H15N
Average molar mass
173.25 g/mol

Names & identifiers

Preferred name
3-(Cyclohexen-1-yl)aniline
IUPAC
3-(cyclohexen-1-yl)aniline

Names & synonyms

3-(cyclohex-1-en-1-yl)aniline225935-96-63-(cyclohexen-1-yl)anilineICCB1_000082SCHEMBL4406771JBNMSYCLKLNRAP-UHFFFAOYSA-NEN300-1586319Z1255403892

Database identifiers

PubChem CID
6709749

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
195

Related reactions

3 records
New reaction record
HRID 7062 reaction equation
HRID 7062As reactantuspto-grants-2006_08
HRID 7084 reaction equation
HRID 7084As reactantuspto-grants-2006_08
HRID 1212489 reaction equation
HRID 1212489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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