Chemical Name - Diallylamine
Mol Weight - 97.1603
Smiles - C=CCNCC=C
Mol Weight - 97.1603
Smiles - C=CCNCC=C
| Property Value | |
| Mol Name | Diallylamine |
| Molweight | 97.1603 |
| Monoisotopic Mass | 97.089149 |
| Clogp | 0.9483 |
| Clogs | -1.187 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 101.56 |
| Relative Psa | 0.11284 |
| Polar Surface Area | 12.03 |
| Druglikeness | -2.7875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.7123 |
| Molecular Complexity | 0.3662 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | C=CCNCC=C |
| InChIKey | InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2 |
| InChI | DYUWTXWIYMHBQS-UHFFFAOYSA-N |
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1 - Diallylamine
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