Basic information
- CAS
136722-81-1- Standard SMILES
CC(C)=CCN1Cc2cccc3nc(N(C)C)n(c23)CC1C- InChIKey
XPRRAZOZAHQIHS-UHFFFAOYSA-N- Molecular formula
- C18H26N4
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.21574685
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepin-2-amine, 4,5,6,7-tetrahydro-N,N,5-trimethyl-6-(3-methyl-2-butenyl)-
- IUPAC
- N,N,11-trimethyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-amine
Names & synonyms
136722-81-1Imidazo(4,5,1-jk)(1,4)benzodiazepin-2-amine, 4,5,6,7-tetrahydro-N,N,5-trimethyl-6-(3-methyl-2-butenyl)-Imidazo(4,5,1-jk)(1,4)benzodiazepin-2-amine, 4,5,6,7-tetrahydro-N,N,5-trimethyl-6-(3-methyl-2-butenyl)-, (1)-Imidazo[4,5,1-jk][1,4]benzodiazepin-2-amine, 4,5,6,7-tetrahydro-N,N,5-trimethyl-6-(3-methyl-2-butenyl)-Imidazo[4,5,1-jk][1,4]benzodiazepin-2-amine, 4,5,6,7-tetrahydro-N,N,5-trimethyl-6-(3-methyl-2-butenyl)-, (1)-CHEMBL107553DTXSID00929520N,N-trimethyl-(3-methylbut-2-enyl)[?]amineN,N,5-Trimethyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-amine
Database identifiers
- CAS
136722-81-1- PubChem CID
- 453589
- DTXSID
DTXSID00929520- ChEMBL
CHEMBL107553- Nikkaji
- J449.406G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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