1400W
PubChem CID: 1433
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| Compound Synonyms | 180001-34-7, 1400W, N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE, n-[3-(aminomethyl)benzyl]acetamidine, N-{[3-(aminomethyl)phenyl]methyl}ethanimidamide, W 1400, CHEBI:90721, UNII-M1VB8VP8OH, M1VB8VP8OH, N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide, N-(3-(aminomethyl)benzyl)acetimidamide, Ethanimidamide, N-[[3-(aminomethyl)phenyl]methyl]-, CHEMBL107251, 1400W (dihydrochloride), N-((3-(aminomethyl)phenyl)methyl)ethanimidamide, N-[[3-(Aminomethyl)phenyl]methyl]ethanimidamide, (E)-N'-{[3-(aminomethyl)phenyl]methyl}ethenimidamide, N-((3-(AMINOMETHYL)PHENYL)METHYL)-ETHANIMIDAMIDE, ETHANIMIDAMIDE, N-((3-(AMINOMETHYL)PHENYL)METHYL)-, 1400 W, N-(3-Aminomethyl-benzyl)-acetamidine, CHEMBL544788, 14W, n-[[3-(aminomethyl)phenyl]methyl]-ethanimidamide, (E)-N'-((3-(aminomethyl)phenyl)methyl)ethenimidamide, N-(3-(aminomethyl)benzyl)-acetamidine, n-[3-(aminomethyl)benzyl]ethanimidamide, Bio1_001405, Tocris-1415, Lopac-W-4262, SCHEMBL4467, Lopac0_001258, BSPBio_001591, KBioGR_000311, KBioSS_000311, 1400W2HCl, GTPL5102, BCBcMAP01_000134, KBio2_000311, KBio2_002879, KBio2_005447, KBio3_000621, KBio3_000622, Bio1_000427, Bio1_000916, Bio2_000311, Bio2_000791, DTXSID201290729, HMS1361P13, HMS1791P13, HMS1989P13, N-3-Aminomethyl-benzyl-acetamidine, BCP24904, N-(3-aminomethyl)benzylacetimidamide, [N-(3-aminomethyl)benzylactamidine], BDBM50065805, BDBM50226527, N-(3-(aminomethyl)benzyl)acetimidine, AKOS006277318, CCG-205332, DB02044, IDI1_034061, SMP2_000243, NCGC00016095-01, NCGC00016095-02, NCGC00016095-03, NCGC00016095-04, NCGC00016095-05, NCGC00016095-06, NCGC00025154-01, NCGC00025154-02, NCGC00025154-03, NCGC00025154-04, NCGC00025154-05, DA-09065, HY-18730, CS-0014211, NS00069446, W1400, (1Z)-N-[3-(aminomethyl)benzyl]ethanimidamide, BRD-K30237152-300-01-7, BRD-K30237152-300-02-5, Q27070773, ETHANIMIDAMIDE,N-[[3-(AMINOMETHYL)PHENYL]METHYL]- |
|---|---|
| Topological Polar Surface Area | 64.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35228, P29474, P29475, P29473, P29477, P29476, P19838, P15917, P08482, P08684, Q9UBT6, n.a., P0DTD1 |
| Iupac Name | N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide |
| Prediction Hob | 1.0 |
| Target Id | NPT3517, NPT3974, NPT3569, NPT163, NPT109 |
| Xlogp | -0.2 |
| Molecular Formula | C10H15N3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RODUKNYOEVZQPR-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.593 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.737 |
| Compound Name | 1400W |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 177.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.127 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 177.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0038946615384612 |
| Inchi | InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13) |
| Smiles | CC(=NCC1=CC=CC(=C1)CN)N |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Garcinia Subelliptica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all