About 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine
3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine (PubChem CID 103578466) has the molecular formula C13H25N
and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine.
Molecular Properties
| Compound Name | 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine |
| PubChem CID | 103578466 |
| Molecular Formula | C13H25N |
| Molecular Weight | 195.35 g/mol |
| Exact Mass | 195.20 |
| IUPAC Name | 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine |
| SMILES | CCCC1CC1NC1CC(C(C)C)C1 |
| InChI | InChI=1S/C13H25N/c1-4-5-10-8-13(10)14-12-6-11(7-12)9(2)3/h9-14H,4-8H2,1-3H3 |
| InChIKey | ZPFVVHOCHAXSQX-UHFFFAOYSA-N |
| XLogP | 3.20 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 195.35 |
| LogP ≤ 5 | 3.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine (CID 103578466) is 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine is CCCC1CC1NC1CC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine?
The InChIKey is ZPFVVHOCHAXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-5-10-8-13(10)14-12-6-11(7-12)9(2)3/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine?
3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine is sourced from PubChem (CID 103578466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).