Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1ccc(CNC2(C)CCCc3cccnc32)cc1)Cc1ccccn1- InChIKey
DVNFDCGCQVCXQO-UHFFFAOYSA-N- Molecular formula
- C29H36N4O2
- Average molar mass
- 472.6 g/mol
Names & identifiers
- Preferred name
- N-tert-Butoxycarbonyl-N-(2-pyridinylmethyl)-N'-(8-methyl-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
- IUPAC
- tert-butyl N-[[4-[[(8-methyl-6,7-dihydro-5H-quinolin-8-yl)amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)carbamate
Names & synonyms
SCHEMBL4064150DVNFDCGCQVCXQO-UHFFFAOYSA-NN-tert-Butoxycarbonyl-N-(2-pyridinylmethyl)-N'-(8-methyl-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
Database identifiers
- PubChem CID
- 22018645
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 672
Related reactions
5 records
Compound notes
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