3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-1-ol
Formula:C10H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-1-ol is a drug-like molecule.
| MolName | 3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-1-ol |
| MolecularFormula | C10H16N2O |
| Smiles | C[C@H](c1cnccc1)NCCCO |
| InChI | InChI=1S/C10H16N2O/c1-9(12-6-3-7-13)10-4-2-5-11-8-10/h2,4-5,8-9,12-13H,3,6-7H2,1H3/t9-/m1/s1 |
| InChIK | IYOKAVFRPPOWHT-SECBINFHSA-N |
| TotalMolweight | 180.25 |
| Molweight | 180.25 |
| MonoisotopicMass | 180.126263 |
| CLogP | 0.2358 |
| CLogS | -0.831 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 155.87 |
| Relative PSA | 0.22795 |
| PolarSurfaceArea | 45.15 |
| Druglikeness | 1.442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-1-ol | 2 - 3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-1-ol
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