Basic information
- CAS
102207-58-9- Standard SMILES
CCN1CCc2c(c3cc(C)ccc3n2CCc2ccc(C)nc2)C1- InChIKey
ISWGLGLPSQCQIO-UHFFFAOYSA-N- Molecular formula
- C22H27N3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.22049787
Names & identifiers
- Preferred name
- 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-
- IUPAC
- 2-ethyl-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
EmelineEmelin1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-2,3,4,5-Tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indoleDTXSID90144785RefChem:240265DTXCID4067276102207-58-9SCHEMBL3715001ISWGLGLPSQCQIO-UHFFFAOYSA-N2-ethyl-8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole2-ethyl-2,3,4,5-tetrahydro-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-1H-pyrido[4,3-b]indole
Database identifiers
- CAS
102207-58-9- PubChem CID
- 212929
- DTXSID
DTXSID90144785- Nikkaji
- J85.832C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
6 records
Compound notes
Loading…