1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)-
Basic information
- CAS
109553-01-7- Standard SMILES
CCN(CC)CCCCNc1ncc(C)c2[nH]c3ccncc3c12- InChIKey
UNAHWMJWTBYULY-UHFFFAOYSA-N- Molecular formula
- C19H27N5
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.22664588
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)-
- IUPAC
- N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)butane-1,4-diamine
Names & synonyms
109553-01-7CHEMBL42761DTXSID509112381,4-Butanediamine, N,N-diethyl-N-(4-methyl-5H-pyrrolo(3,2-c.4,5-c)dipyridin-1-yl)-N,N-Diethyl-4-[(4-methyl-2,5-dihydro-1H-pyrrolo[3,2-c:4,5-c']dipyridin-1-ylidene)amino]butan-1-amine
Database identifiers
- CAS
109553-01-7- PubChem CID
- 184091
- DTXSID
DTXSID50911238- ChEMBL
CHEMBL42761
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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