N"-[(Z)-3-cyclohexylpropylideneamino]methanetriamine
Formula:C10H22N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N"-[(Z)-3-cyclohexylpropylideneamino]methanetriamine is a drug-like molecule.
| MolName | N"-[(Z)-3-cyclohexylpropylideneamino]methanetriamine |
| MolecularFormula | C10H22N4 |
| Smiles | NC(N)N/N=C\CCC1CCCCC1 |
| InChI | InChI=1S/C10H22N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h8-10,14H,1-7,11-12H2 |
| InChIK | GYNZTVSLAPLAIE-UHFFFAOYSA-N |
| TotalMolweight | 198.313 |
| Molweight | 198.313 |
| MonoisotopicMass | 198.184446 |
| CLogP | 0.2409 |
| CLogS | -2.479 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 174.58 |
| Relative PSA | 0.30651 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | -2.4653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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