1,1-Pentamethylenetetrahydroisoquinoline
Basic information
- CAS
89248-68-0- Standard SMILES
c1ccc2c(c1)CCNC21CCCCC1- InChIKey
PCXIJESZHOKFAB-UHFFFAOYSA-N- Molecular formula
- C14H19N
- Average molar mass
- 201.31 g/mol
- Monoisotopic mass
- 201.15174961
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,1-Pentamethylenetetrahydroisoquinoline
- IUPAC
- spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclohexane]
- English name
- 1,1-pentamethylenetetrahydroisoquinoline
- Molecular weight
- 0
Names & synonyms
1,1-Pentamethylenetetrahydroisoquinoline89248-68-0DTXSID10237587RefChem:71138DTXCID60160078PM-Thiq3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinoline]CHEMBL21379Spiro(cyclohexane-1,1'(2'H)-isoquinoline), 3',4'-dihydro-
Database identifiers
- CAS
89248-68-0- PubChem CID
- 146010
- DTXSID
DTXSID10237587- ChEMBL
CHEMBL21379- Nikkaji
- J468.212B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
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Related reactions
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Compound notes
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