N-[3-(2,3,4,9-Tetrahydro-1H-b-carbolin-1-yl)-propyl]-guanidine
PubChem CID: 14162516
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| Compound Synonyms | 82264-57-1, N-[3-(2,3,4,9-Tetrahydro-1H-b-carbolin-1-yl)-propyl]-guanidine, Trypargine, CHEMBL492608, DTXSID70556802, N''-[3-(2,3,4,9-Tetrahydro-1H-beta-carbolin-1-yl)propyl]guanidine, DB-320732 |
|---|---|
| Topological Polar Surface Area | 92.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C15H21N5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NMPAXZOTIQZCEM-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.166 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.68 |
| Compound Name | N-[3-(2,3,4,9-Tetrahydro-1H-b-carbolin-1-yl)-propyl]-guanidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.18 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.18 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 271.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1995816 |
| Inchi | InChI=1S/C15H21N5/c16-15(17)19-8-3-6-13-14-11(7-9-18-13)10-4-1-2-5-12(10)20-14/h1-2,4-5,13,18,20H,3,6-9H2,(H4,16,17,19) |
| Smiles | C1CNC(C2=C1C3=CC=CC=C3N2)CCCN=C(N)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Taiwaniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all