2-Butyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

HCID 21085427
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1CCc2ccc(C#N)cc2C1
InChIKey
HWPBJQCGTNVQQO-UHFFFAOYSA-N
Molecular formula
C14H18N2
Average molar mass
214.31 g/mol

Names & identifiers

Preferred name
2-Butyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
IUPAC
2-butyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile

Names & synonyms

CHEMBL4083890SCHEMBL3348927HWPBJQCGTNVQQO-UHFFFAOYSA-NBDBM502672012-Butyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

Database identifiers

PubChem CID
21085427
ChEMBL
CHEMBL4083890

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Related reactions

3 records
New reaction record

Linked notes

Loading…