4-N-hexyl-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Basic information
- CAS
27431-04-5- Standard SMILES
CCCCCCNc1nc(C)nc(NC(C)C)n1- InChIKey
ZKKHAFDGOUHVJK-UHFFFAOYSA-N- Molecular formula
- C13H25N5
- Average molar mass
- 251.37 g/mol
- Monoisotopic mass
- 251.21099582
Names & identifiers
- Preferred name
- 4-N-hexyl-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
- IUPAC
- 4-N-hexyl-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
4-N-hexyl-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine27431-04-5DTXSID90275068N~2~-Hexyl-6-methyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
27431-04-5- PubChem CID
- 33824
- DTXSID
DTXSID90275068- Nikkaji
- J1.612.115K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 210
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Compound notes
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