About 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine (PubChem CID 83990284) has the molecular formula C14H28N2
and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine.
Molecular Properties
| Compound Name | 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine |
| PubChem CID | 83990284 |
| Molecular Formula | C14H28N2 |
| Molecular Weight | 224.39 g/mol |
| Exact Mass | 224.23 |
| IUPAC Name | 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine |
| SMILES | CCNC1CC(CC2CC2)CN(C(C)C)C1 |
| InChI | InChI=1S/C14H28N2/c1-4-15-14-8-13(7-12-5-6-12)9-16(10-14)11(2)3/h11-15H,4-10H2,1-3H3 |
| InChIKey | ATNPUKSGEOKCKW-UHFFFAOYSA-N |
| XLogP | 2.49 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.39 |
| LogP ≤ 5 | 2.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine (CID 83990284) is 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine is CCNC1CC(CC2CC2)CN(C(C)C)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The InChIKey is ATNPUKSGEOKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-15-14-8-13(7-12-5-6-12)9-16(10-14)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83990284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).