About N-ethenyl-4-methylcyclohexan-1-amine
N-ethenyl-4-methylcyclohexan-1-amine (PubChem CID 58476110) has the molecular formula C9H17N
and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethenyl-4-methylcyclohexan-1-amine.
Molecular Properties
| Compound Name | N-ethenyl-4-methylcyclohexan-1-amine |
| PubChem CID | 58476110 |
| Molecular Formula | C9H17N |
| Molecular Weight | 139.24 g/mol |
| Exact Mass | 139.14 |
| IUPAC Name | N-ethenyl-4-methylcyclohexan-1-amine |
| SMILES | C=CNC1CCC(C)CC1 |
| InChI | InChI=1S/C9H17N/c1-3-10-9-6-4-8(2)5-7-9/h3,8-10H,1,4-7H2,2H3 |
| InChIKey | VYKORTRJXQFNJI-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 139.24 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-ethenyl-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethenyl-4-methylcyclohexan-1-amine (CID 58476110) is N-ethenyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethenyl-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethenyl-4-methylcyclohexan-1-amine is C=CNC1CCC(C)CC1.
What is the InChIKey of N-ethenyl-4-methylcyclohexan-1-amine?
The InChIKey is VYKORTRJXQFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-10-9-6-4-8(2)5-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-ethenyl-4-methylcyclohexan-1-amine?
N-ethenyl-4-methylcyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 58476110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).