About 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine
1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine (PubChem CID 145149810) has the molecular formula C14H23N
and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine.
Molecular Properties
| Compound Name | 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine |
| PubChem CID | 145149810 |
| Molecular Formula | C14H23N |
| Molecular Weight | 205.34 g/mol |
| Exact Mass | 205.18 |
| IUPAC Name | 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine |
| SMILES | C=C/N=C(\C=C(C)C)CC1CCCCC1 |
| InChI | InChI=1S/C14H23N/c1-4-15-14(10-12(2)3)11-13-8-6-5-7-9-13/h4,10,13H,1,5-9,11H2,2-3H3/b15-14+ |
| InChIKey | CWBLZMNAOXUTFB-CCEZHUSRSA-N |
| XLogP | 4.51 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.34 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine?
The IUPAC name of 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine (CID 145149810) is 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine.
What is the SMILES notation for 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine?
The canonical SMILES for 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine is C=C/N=C(\C=C(C)C)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine?
The InChIKey is CWBLZMNAOXUTFB-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H23N/c1-4-15-14(10-12(2)3)11-13-8-6-5-7-9-13/h4,10,13H,1,5-9,11H2,2-3H3/b15-14+.
What are the key properties of 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine?
1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine has a molecular weight of 205.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine is sourced from PubChem (CID 145149810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).