Basic information
- CAS
5745-91-5- Standard SMILES
c1cc2c3c(cccc3c1)NC1(CCCCC1)N2- InChIKey
KMAVVPHOTMNZLL-UHFFFAOYSA-N- Molecular formula
- C16H18N2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.14699858
Names & identifiers
- Preferred name
- Spiro[cyclohexane-1,2'(3'H)-[1H]perimidine]
- IUPAC
- spiro[1,3-dihydroperimidine-2,1'-cyclohexane]
Names & synonyms
5745-91-5Spiro[cyclohexane-1,2'(3'H)-[1H]perimidine]spiro[1,3-dihydroperimidine-2,1'-cyclohexane]1'h,3'h-spiro[cyclohexane-1,2'-perimidine]MLS000526064SMR0001165381',3'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PERIMIDINE]Oprea1_436056Oprea1_667306Spiro[cyclohexane-1,2//'(3//'H)-[1H]perimidine]cid_797247SCHEMBL8746611
Show more names
CHEMBL1416882BDBM40665DTXSID70355357HMS1676D14HMS2491F15AKOS000591950ST111950ST50236337
Database identifiers
- CAS
5745-91-5- PubChem CID
- 797247
- DTXSID
DTXSID70355357- ChEMBL
CHEMBL1416882- Nikkaji
- J1.098.949C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…