1,3-Propanediamine
AlkaPlorer ID: AK311198
Synonym: Trimethylenediamine, 1,3-Diaminopropane, Propylenediamine
IUPAC Name: 3-azaniumylpropylazanium
Structure
SMILES: [NH3+]CCC[NH3+]
InChI: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2
InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-P
Source
Properties Information
Molecule Weight: 76.143
TPSA？: 55.28
MolLogP？: -2.1396999999999986
Number of H-Donors: 2
Number of H-Acceptors: 0
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | J774 | Activity | 89.0 | % | 10.1016/j.bmcl.2009.07.086 |
| Mus musculus | J774 | Activity | 94.0 | % | 10.1016/j.bmcl.2009.07.086 |
| Mus musculus | J774 | Activity | 100.0 | % | 10.1016/j.bmcl.2009.07.086 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | nan | None | 10.1016/j.bmcl.2009.07.086 |
| Rattus norvegicus | Glutamate NMDA receptor | Sp Max | 22.0 | % | 10.1021/jm9707129 |
| Rattus norvegicus | Glutamate NMDA receptor | Sp St | 98.0 | % | 10.1021/jm9707129 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | ADMET | Activity | 5.0 | % | 10.1021/jm9707129 |
| None | No relevant target | CLogP | -1.49 | None | 10.1021/jm9707129 |
| None | No relevant target | Drug metabolism | nan | None | 10.1016/j.bmcl.2019.126903 |
| None | No relevant target | LogP | 1.86 | None | 10.1021/jm9707129 |
| None | No relevant target | pK1 | 10.55 | None | 10.1021/jm9707129 |
| None | No relevant target | pK2 | 8.69 | None | 10.1021/jm9707129 |