N-methyltetrahydroharman
PubChem CID: 68741157
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| Compound Synonyms | N-methyltetrahydroharman, SCHEMBL3677181 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 15.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Deep Smiles | CNCCCC=NC=CC=CCC96)))))))C6C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Harmala alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CNCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethyl-1,3,4,4a,4b,5-hexahydropyrido[3,4-b]indole |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H18N2 |
| Scaffold Graph Node Bond Level | C1=CCC2C(=C1)N=C1CNCCC12 |
| Inchi Key | CBXPGLGVGDAYMC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | n-methyltetrahydroharman |
| Esol Class | Soluble |
| Functional Groups | CC1=NC2=CC=CCC2C1, CN(C)C |
| Compound Name | N-methyltetrahydroharman |
| Exact Mass | 202.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 202.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H18N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-4,6,9-11H,5,7-8H2,1-2H3 |
| Smiles | CC1C2=NC3=CC=CCC3C2CCN1C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Reference:ISBN:9788185042053