About N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105173794) has the molecular formula C14H17N3
and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine.
Molecular Properties
| Compound Name | N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine |
| PubChem CID | 105173794 |
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.31 g/mol |
| Exact Mass | 227.14 |
| IUPAC Name | N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine |
| SMILES | CNC(c1cncc(C)c1)c1cccnc1C |
| InChI | InChI=1S/C14H17N3/c1-10-7-12(9-16-8-10)14(15-3)13-5-4-6-17-11(13)2/h4-9,14-15H,1-3H3 |
| InChIKey | OETPDBNTGMRUEK-UHFFFAOYSA-N |
| XLogP | 2.40 |
| TPSA | 37.81 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.31 |
| LogP ≤ 5 | 2.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine (CID 105173794) is N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1cccnc1C.
What is the InChIKey of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is OETPDBNTGMRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-12(9-16-8-10)14(15-3)13-5-4-6-17-11(13)2/h4-9,14-15H,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine?
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105173794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).