About 6-(3-methylbutyl)pyridin-3-amine
6-(3-methylbutyl)pyridin-3-amine (PubChem CID 82414791) has the molecular formula C10H16N2
and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-(3-methylbutyl)pyridin-3-amine.
Molecular Properties
| Compound Name | 6-(3-methylbutyl)pyridin-3-amine |
| PubChem CID | 82414791 |
| Molecular Formula | C10H16N2 |
| Molecular Weight | 164.25 g/mol |
| Exact Mass | 164.13 |
| IUPAC Name | 6-(3-methylbutyl)pyridin-3-amine |
| SMILES | CC(C)CCc1ccc(N)cn1 |
| InChI | InChI=1S/C10H16N2/c1-8(2)3-5-10-6-4-9(11)7-12-10/h4,6-8H,3,5,11H2,1-2H3 |
| InChIKey | RNSGKMKWCAUABZ-UHFFFAOYSA-N |
| XLogP | 2.25 |
| TPSA | 38.91 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 164.25 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-(3-methylbutyl)pyridin-3-amine?
The IUPAC name of 6-(3-methylbutyl)pyridin-3-amine (CID 82414791) is 6-(3-methylbutyl)pyridin-3-amine.
What is the SMILES notation for 6-(3-methylbutyl)pyridin-3-amine?
The canonical SMILES for 6-(3-methylbutyl)pyridin-3-amine is CC(C)CCc1ccc(N)cn1.
What is the InChIKey of 6-(3-methylbutyl)pyridin-3-amine?
The InChIKey is RNSGKMKWCAUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)3-5-10-6-4-9(11)7-12-10/h4,6-8H,3,5,11H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)pyridin-3-amine?
6-(3-methylbutyl)pyridin-3-amine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)pyridin-3-amine is sourced from PubChem (CID 82414791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).