2-pentyl-1,5,9-triazacyclotridecan-4-one
AlkaPlorer ID: AK254304
Synonym: None
IUPAC Name: (2S)-2-pentyl-1,5,9-triazacyclotridecan-4-one
Structure
SMILES: CCCCC[C@H]1CC(O)=NCCCNCCCCN1
InChI: InChI=1S/C15H31N3O/c1-2-3-4-8-14-13-15(19)18-12-7-10-16-9-5-6-11-17-14/h14,16-17H,2-13H2,1H3,(H,18,19)/t14-/m0/s1
InChIKey: HLAWKQMMYMZKGP-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Equisetum ramosissimum | Equisetum | Equisetaceae | Equisetales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 269.4329999999999
TPSA？: 56.650000000000006
MolLogP？: 2.6450000000000005
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|