Chemical Name - N-Methylbutylamine
Mol Weight - 87.1652
Smiles - CCCCNC
Mol Weight - 87.1652
Smiles - CCCCNC
| Property Value | |
| Mol Name | N-Methylbutylamine |
| Molweight | 87.1652 |
| Monoisotopic Mass | 87.104799 |
| Clogp | 0.913 |
| Clogs | -1.009 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 90.76 |
| Relative Psa | 0.12627 |
| Polar Surface Area | 12.03 |
| Druglikeness | -1.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.60049 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 6 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCCCNC |
| InChIKey | InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3 |
| InChI | QCOGKXLOEWLIDC-UHFFFAOYSA-N |
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1 - N-Methylbutylamine
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1 - N-Methylbutylamine
2 - N-Methylbutylamine
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