About N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine (PubChem CID 135142655) has the molecular formula C22H35N3
and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine.
Molecular Properties
| Compound Name | N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine |
|---|
| PubChem CID | 135142655 |
|---|
| Molecular Formula | C22H35N3 |
|---|
| Molecular Weight | 341.54 g/mol |
|---|
| Exact Mass | 341.28 |
|---|
| IUPAC Name | N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine |
|---|
| SMILES | C=N/C=c1/nc(CC2CC(C)CC(C)C2)n(C)/c1=C(\C=C/C)C(C)C |
|---|
| InChI | InChI=1S/C22H35N3/c1-8-9-19(15(2)3)22-20(14-23-6)24-21(25(22)7)13-18-11-16(4)10-17(5)12-18/h8-9,14-18H,6,10-13H2,1-5,7H3/b9-8-,20-14+,22-19+ |
|---|
| InChIKey | JOBGGURFHRJSCD-YPFXFCQUSA-N |
|---|
| XLogP | 3.86 |
|---|
| TPSA | 30.18 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 25 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 341.54 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The IUPAC name of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine (CID 135142655) is N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The canonical SMILES for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine is C=N/C=c1/nc(CC2CC(C)CC(C)C2)n(C)/c1=C(\C=C/C)C(C)C.
What is the InChIKey of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The InChIKey is JOBGGURFHRJSCD-YPFXFCQUSA-N. The full InChI is InChI=1S/C22H35N3/c1-8-9-19(15(2)3)22-20(14-23-6)24-21(25(22)7)13-18-11-16(4)10-17(5)12-18/h8-9,14-18H,6,10-13H2,1-5,7H3/b9-8-,20-14+,22-19+.
What are the key properties of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine has a molecular weight of 341.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine is sourced from PubChem (CID 135142655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).