Tetramethyldiaminobutane
PubChem CID: 66074
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| Compound Synonyms | 111-51-3, N,N,N',N'-Tetramethyl-1,4-butanediamine, N1,N1,N4,N4-Tetramethylbutane-1,4-diamine, Tetramethyldiaminobutane, Tetramethylputrescine, N,N,N',N'-Tetramethyl-1,4-diaminobutane, 1,4-Bis(dimethylamino)butane, N,N,N',N'-Tetramethyltetramethylenediamine, 1,4-Butanediamine, N,N,N',N'-tetramethyl-, N,N,N',N'-Tetramethylputrescine, N,N,N',N'-tetramethylbutane-1,4-diamine, EINECS 203-878-5, alpha,delta-(Tetramethyldiamino)butane, BRN 1735538, 5J7765FHLU, AI3-23335, n,n,n',n'-Tetramethyl-1,4'-butanediamine, DTXSID0059403, 1,4-Butanediamine, N1,N1,N4,N4-tetramethyl-, 4-04-00-01284 (Beilstein Handbook Reference), TETRAMETHYLDIAMINOBUTANE [MI], .alpha.,.delta.-(Tetramethyldiamino)butane, N(SUP1),N(SUP1),N(SUP4),N(SUP4)-TETRAMETHYL-1,4-BUTANEDIAMINE, UNII-5J7765FHLU, Tetramethylputrescin, MFCD00008338, SCHEMBL21216, 1,4TMP, 2,7-Dimethyl-2,7-diazaoctane, DTXCID3033199, VEAZEPMQWHPHAG-UHFFFAOYSA-, N,N'-tetramethyl-1,4-butanediamine, n,n,n',n'-tetramethylbutylenediamine, AKOS015894497, (CH3)2N(CH2)4N(CH3)2, AS-75485, DB-040983, CS-0095543, N,N,N',N'-tetramethyl-butane-1,4-diamine, NS00023574, T1289, D94769, N,N,N',N'-Tetramethyl-1,4-butanediamine, 98%, N,N,N\',N\'-TETRAMETHYL-1,4-BUTANEDIAMINE, Q27262400, InChI=1/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3, 203-878-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 6.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CNCCCCNC)C))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.7 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N,N',N'-tetramethylbutane-1,4-diamine |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H20N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEAZEPMQWHPHAG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.867 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.099 |
| Synonyms | tetramethyldiaminobutane, tetramethylputrescine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | Tetramethyldiaminobutane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.163 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.26 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.0595236 |
| Inchi | InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3 |
| Smiles | CN(C)CCCCN(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Hyoscyamus Muticus (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Oldenlandia Affinis (Plant) Rel Props:Reference:ISBN:9788185042084