N,N-Bis(3-methyl-2-butenyl)guanidine
AlkaPlorer ID: AK029253
Synonym: N,N-Diisopentenylguanidine, N,N-Diprenylguanidine, Pterogynine
IUPAC Name: 1,1-bis(3-methylbut-2-enyl)guanidine
Structure
SMILES: CC(C)=CCN(CC=C(C)C)C(=N)N
InChI: InChI=1S/C11H21N3/c1-9(2)5-7-14(11(12)13)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H3,12,13)
InChIKey: LNZWTNFGEROXJJ-UHFFFAOYSA-N
Reference
PubChem CID: 45268797
CAS: 25387-60-4
LOTUS: LTS0250835
SuperNatural Ⅲ: SN0210767
NPASS: NPC223653
COCONUT: CNP0167980
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterogyne nitens | Pterogyne | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Alchornea | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 195.31
TPSA？: 53.11
MolLogP？: 2.1142700000000003
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | HL-60 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | MDA-MB-435 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | SF-295 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |