N,N-Dimethylcon-5-enin-3-amine
PubChem CID: 2860
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| Compound Synonyms | N,N-Dimethylcon-5-enin-3-amine, Konessin, 3.beta.-(Dimethylamino)con-5-ene, NSC347544, N,N-pentamethyl[?]amine, N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine, Con-5-enine, 3.beta.-(dimethylamino)-, Oprea1_048812, SCHEMBL12807252, DTXSID60859475, GPLGAQQQNWMVMM-UHFFFAOYSA-N, NSC119994, 3-.beta.-(Dimethylamino)con-5-enine, NSC-347544, N,N-Dimethylcon-5-enin-3-amine, (3.beta.)-, Con-5-enin-3-amine,N-dimethyl-, (3.beta.)-, Con-5-enin-3-amine, N,N-dimethyl-, (3.beta.)- |
|---|---|
| Topological Polar Surface Area | 6.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| Prediction Hob | 1.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Steroidal alkaloids |
| Molecular Formula | C24H40N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPLGAQQQNWMVMM-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Rotatable Bond Count | 1.0 |
| Compound Name | N,N-Dimethylcon-5-enin-3-amine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.319 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.319 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 356.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -5.040407600000001 |
| Inchi | InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3 |
| Smiles | CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Conanine-type alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Holarrhena Febrifuga (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Holarrhena Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all