About N'-(1-methylcyclohexyl)cyclopentanecarboximidamide
N'-(1-methylcyclohexyl)cyclopentanecarboximidamide (PubChem CID 63176592) has the molecular formula C13H24N2
and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-(1-methylcyclohexyl)cyclopentanecarboximidamide.
Molecular Properties
| Compound Name | N'-(1-methylcyclohexyl)cyclopentanecarboximidamide |
| PubChem CID | 63176592 |
| Molecular Formula | C13H24N2 |
| Molecular Weight | 208.35 g/mol |
| Exact Mass | 208.19 |
| IUPAC Name | N'-(1-methylcyclohexyl)cyclopentanecarboximidamide |
| SMILES | CC1(/N=C(\N)C2CCCC2)CCCCC1 |
| InChI | InChI=1S/C13H24N2/c1-13(9-5-2-6-10-13)15-12(14)11-7-3-4-8-11/h11H,2-10H2,1H3,(H2,14,15) |
| InChIKey | FWURQJKBSFXUMD-UHFFFAOYSA-N |
| XLogP | 3.26 |
| TPSA | 38.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.35 |
| LogP ≤ 5 | 3.26 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(1-methylcyclohexyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(1-methylcyclohexyl)cyclopentanecarboximidamide (CID 63176592) is N'-(1-methylcyclohexyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(1-methylcyclohexyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(1-methylcyclohexyl)cyclopentanecarboximidamide is CC1(/N=C(\N)C2CCCC2)CCCCC1.
What is the InChIKey of N'-(1-methylcyclohexyl)cyclopentanecarboximidamide?
The InChIKey is FWURQJKBSFXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(9-5-2-6-10-13)15-12(14)11-7-3-4-8-11/h11H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-(1-methylcyclohexyl)cyclopentanecarboximidamide?
N'-(1-methylcyclohexyl)cyclopentanecarboximidamide has a molecular weight of 208.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylcyclohexyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63176592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).