N-[(E)-3-phenylprop-2-enyl]adamantan-1-amine
Formula:C19H25N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-phenylprop-2-enyl]adamantan-1-amine is a drug-like molecule.
| MolName | N-[(E)-3-phenylprop-2-enyl]adamantan-1-amine |
| MolecularFormula | C19H25N |
| Smiles | C(/C=C/c1ccccc1)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H25N/c1-2-5-15(6-3-1)7-4-8-20-19-12-16-9-17(13-19)11-18(10-16)14-19/h1-7,16-18,20H,8-14H2 |
| InChIK | KYBQHIBVMSBQAD-UHFFFAOYSA-N |
| TotalMolweight | 267.415 |
| Molweight | 267.415 |
| MonoisotopicMass | 267.198699 |
| CLogP | 3.8524 |
| CLogS | -4.344 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 214.95 |
| Relative PSA | 0.053315 |
| PolarSurfaceArea | 12.03 |
| Druglikeness | 1.0125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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