About 2-pyridin-2-ylnonan-3-amine
2-pyridin-2-ylnonan-3-amine (PubChem CID 114753071) has the molecular formula C14H24N2
and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-pyridin-2-ylnonan-3-amine.
Molecular Properties
| Compound Name | 2-pyridin-2-ylnonan-3-amine |
| PubChem CID | 114753071 |
| Molecular Formula | C14H24N2 |
| Molecular Weight | 220.36 g/mol |
| Exact Mass | 220.19 |
| IUPAC Name | 2-pyridin-2-ylnonan-3-amine |
| SMILES | CCCCCCC(N)C(C)c1ccccn1 |
| InChI | InChI=1S/C14H24N2/c1-3-4-5-6-9-13(15)12(2)14-10-7-8-11-16-14/h7-8,10-13H,3-6,9,15H2,1-2H3 |
| InChIKey | XUGZRFIORZRMKL-UHFFFAOYSA-N |
| XLogP | 3.48 |
| TPSA | 38.91 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 220.36 |
| LogP ≤ 5 | 3.48 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-pyridin-2-ylnonan-3-amine?
The IUPAC name of 2-pyridin-2-ylnonan-3-amine (CID 114753071) is 2-pyridin-2-ylnonan-3-amine.
What is the SMILES notation for 2-pyridin-2-ylnonan-3-amine?
The canonical SMILES for 2-pyridin-2-ylnonan-3-amine is CCCCCCC(N)C(C)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylnonan-3-amine?
The InChIKey is XUGZRFIORZRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-6-9-13(15)12(2)14-10-7-8-11-16-14/h7-8,10-13H,3-6,9,15H2,1-2H3.
What are the key properties of 2-pyridin-2-ylnonan-3-amine?
2-pyridin-2-ylnonan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylnonan-3-amine is sourced from PubChem (CID 114753071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).