1-(5-Aminopentyl)guanidine
PubChem CID: 21298950
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| Compound Synonyms | 1-(5-Aminopentyl)guanidine, Homoagmatine, 1-amino-5-guanidinopentane, 2-(5-aminopentyl)guanidine, 18431-52-2, CHEMBL103489, N-(5-Amino-pentyl)-guanidine, SCHEMBL5670730, DTXSID90612136, CHEBI:191632, XJHFHPPZQVRVHD-UHFFFAOYSA-N, BDBM50032508, AKOS006337483, N''-(5-AMINOPENTYL)GUANIDINE |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Polyamines |
| Deep Smiles | NCCCCCN=CN)N |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Guanidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.9 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q6AY53 |
| Iupac Name | 2-(5-aminopentyl)guanidine |
| Prediction Hob | 1.0 |
| Class | Organonitrogen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.2 |
| Superclass | Organic nitrogen compounds |
| Subclass | Guanidines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H16N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJHFHPPZQVRVHD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.087 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.465 |
| Synonyms | 1-Amino-5-guanidinopentane, homoagmatine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CN=C(N)N |
| Compound Name | 1-(5-Aminopentyl)guanidine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.17212360000000015 |
| Inchi | InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10) |
| Smiles | C(CCN)CCN=C(N)N |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Guanidines |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Masaikai (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Reference:ISBN:9788172363178 - 3. Outgoing r'ship
FOUND_INto/from Nectandra Pichurim (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pityrogramma Tartarea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all