About N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 130747190) has the molecular formula C11H20FN
and a molecular weight of 185.29 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine.
Molecular Properties
| Compound Name | N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine |
| PubChem CID | 130747190 |
| Molecular Formula | C11H20FN |
| Molecular Weight | 185.29 g/mol |
| Exact Mass | 185.16 |
| IUPAC Name | N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine |
| SMILES | CC1CCC(NCC2(F)CCC2)C1 |
| InChI | InChI=1S/C11H20FN/c1-9-3-4-10(7-9)13-8-11(12)5-2-6-11/h9-10,13H,2-8H2,1H3 |
| InChIKey | LFPYRMNEPVYQGZ-UHFFFAOYSA-N |
| XLogP | 2.66 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 185.29 |
| LogP ≤ 5 | 2.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine (CID 130747190) is N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(NCC2(F)CCC2)C1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is LFPYRMNEPVYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9-3-4-10(7-9)13-8-11(12)5-2-6-11/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine?
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 130747190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).