About 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine
3-methyl-3-naphthalen-1-ylcyclopentan-1-amine (PubChem CID 116538934) has the molecular formula C16H19N
and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine.
Molecular Properties
| Compound Name | 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine |
| PubChem CID | 116538934 |
| Molecular Formula | C16H19N |
| Molecular Weight | 225.34 g/mol |
| Exact Mass | 225.15 |
| IUPAC Name | 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine |
| SMILES | CC1(c2cccc3ccccc23)CCC(N)C1 |
| InChI | InChI=1S/C16H19N/c1-16(10-9-13(17)11-16)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11,17H2,1H3 |
| InChIKey | CKBMYGDMPBABJS-UHFFFAOYSA-N |
| XLogP | 3.61 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.34 |
| LogP ≤ 5 | 3.61 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine (CID 116538934) is 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine is CC1(c2cccc3ccccc23)CCC(N)C1.
What is the InChIKey of 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine?
The InChIKey is CKBMYGDMPBABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-16(10-9-13(17)11-16)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11,17H2,1H3.
What are the key properties of 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine?
3-methyl-3-naphthalen-1-ylcyclopentan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-naphthalen-1-ylcyclopentan-1-amine is sourced from PubChem (CID 116538934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).