About 4-cyclopropyl-3-methylpiperidin-1-amine
4-cyclopropyl-3-methylpiperidin-1-amine (PubChem CID 22278862) has the molecular formula C9H18N2
and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-cyclopropyl-3-methylpiperidin-1-amine.
Molecular Properties
| Compound Name | 4-cyclopropyl-3-methylpiperidin-1-amine |
| PubChem CID | 22278862 |
| Molecular Formula | C9H18N2 |
| Molecular Weight | 154.26 g/mol |
| Exact Mass | 154.15 |
| IUPAC Name | 4-cyclopropyl-3-methylpiperidin-1-amine |
| SMILES | CC1CN(N)CCC1C1CC1 |
| InChI | InChI=1S/C9H18N2/c1-7-6-11(10)5-4-9(7)8-2-3-8/h7-9H,2-6,10H2,1H3 |
| InChIKey | RDQLEEYWPMGHLN-UHFFFAOYSA-N |
| XLogP | 1.23 |
| TPSA | 29.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 154.26 |
| LogP ≤ 5 | 1.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-cyclopropyl-3-methylpiperidin-1-amine?
The IUPAC name of 4-cyclopropyl-3-methylpiperidin-1-amine (CID 22278862) is 4-cyclopropyl-3-methylpiperidin-1-amine.
What is the SMILES notation for 4-cyclopropyl-3-methylpiperidin-1-amine?
The canonical SMILES for 4-cyclopropyl-3-methylpiperidin-1-amine is CC1CN(N)CCC1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methylpiperidin-1-amine?
The InChIKey is RDQLEEYWPMGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-6-11(10)5-4-9(7)8-2-3-8/h7-9H,2-6,10H2,1H3.
What are the key properties of 4-cyclopropyl-3-methylpiperidin-1-amine?
4-cyclopropyl-3-methylpiperidin-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methylpiperidin-1-amine is sourced from PubChem (CID 22278862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).