2-[[(2R)-azocan-2-yl]methyl]guanidine
Formula:C9H20N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(2R)-azocan-2-yl]methyl]guanidine is a drug-like molecule.
| MolName | 2-[[(2R)-azocan-2-yl]methyl]guanidine |
| MolecularFormula | C9H20N4 |
| Smiles | NC(N)=NC[C@@H]1NCCCCCC1 |
| InChI | InChI=1S/C9H20N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12H,1-7H2,(H4,10,11,13)/t8-/m1/s1 |
| InChIK | ZCVAIGPGEINFCX-MRVPVSSYSA-N |
| TotalMolweight | 184.286 |
| Molweight | 184.286 |
| MonoisotopicMass | 184.168796 |
| CLogP | 0.3007 |
| CLogS | -2.213 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 160.29 |
| Relative PSA | 0.33383 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | -2.739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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1 - 2-[[(2R)-azocan-2-yl]methyl]guanidine | 2 - 2-[[(2R)-azocan-2-yl]methyl]guanidine
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