N,N-Dimethylisopropylamine
PubChem CID: 70452
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| Compound Synonyms | N,N-Dimethylisopropylamine, 996-35-0, Dimethylisopropylamine, N,N-dimethylpropan-2-amine, 2-Propanamine, N,N-dimethyl-, Isopropyldimethylamine, Ethylamine, N,N,1-trimethyl-, 2-Dimethylaminopropane, WA4TE070J7, DTXSID2033447, EINECS 213-635-5, DTXCID0013447, EC 213-635-5, Catalyst 704, Isopropyldimethylamine, DMIPA, dimethyl-isopropyl-amine, UNII-WA4TE070J7, (CH3)2(i-C3H7)N, MFCD00015014, N-Isopropyldimethylamine, NCGC00090995-01, dimethyl-iso-propylamine, propane, 2-dimethylamino-, N,N-Dimethyllisopropylamine, N,N-Dimethyl-2-propanamine #, CHEMBL1524256, N pound notN-Dimethylisopropylamine, Tox21_200792, N,N-Dimethylisopropylamine, >=99%, AKOS024438202, NCGC00090995-02, NCGC00258346-01, CAS-996-35-0, DB-361242, D1563, NS00002216, D95726, Q23993292, 213-635-5 |
|---|---|
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethylpropan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C5H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMOWKUTXPNPTEN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.778 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.272 |
| Compound Name | N,N-Dimethylisopropylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 87.1048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 87.1048 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 87.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9822291999999999 |
| Inchi | InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3 |
| Smiles | CC(C)N(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all