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2-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-yl-amine

HCID 67023988
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCN1CC2CCc3cc(N)ccc3C2C1
InChIKey
IWELXLICZJFWGU-UHFFFAOYSA-N
Molecular formula
C15H22N2
Average molar mass
230.35 g/mol

Names & identifiers

Preferred name
2-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-yl-amine
IUPAC
2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine

Names & synonyms

SCHEMBL1415598IWELXLICZJFWGU-UHFFFAOYSA-N2-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-yl-amine

Database identifiers

PubChem CID
67023988

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
266

Related reactions

1 records
New reaction record
HRID 450742 reaction equation
HRID 450742As productuspto-grants-2013_07

Compound notes

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