N,N-Diethyl-N'-(5-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-1,3-propanediamine
Basic information
- CAS
106689-59-2- Standard SMILES
CCN(CC)CCCNc1nccc2c1c1cnccc1n2C- InChIKey
SXRKVHYWPFHKBN-UHFFFAOYSA-N- Molecular formula
- C18H25N5
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.21099582
Names & identifiers
- Preferred name
- N,N-Diethyl-N'-(5-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-1,3-propanediamine
- IUPAC
- N',N'-diethyl-N-(8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine
Names & synonyms
106689-59-2CHEMBL42524DTXSID50910084N,N-Diethyl-N'-(5-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-1,3-propanediamine1,3-Propanediamine, N,N-diethyl-N'-(5-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-N,N-Diethyl-3-[(5-methyl-2,5-dihydro-1H-pyrrolo[3,2-c:4,5-c']dipyridin-1-ylidene)amino]propan-1-amine
Database identifiers
- CAS
106689-59-2- PubChem CID
- 184693
- DTXSID
DTXSID50910084- ChEMBL
CHEMBL42524
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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