About [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine (PubChem CID 63168694) has the molecular formula C15H29N3
and a molecular weight of 251.42 g/mol. Its IUPAC name is [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine.
Molecular Properties
| Compound Name | [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine |
| PubChem CID | 63168694 |
| Molecular Formula | C15H29N3 |
| Molecular Weight | 251.42 g/mol |
| Exact Mass | 251.24 |
| IUPAC Name | [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine |
| SMILES | NCC1(CN2CCC(N3CCCC3)C2)CCCC1 |
| InChI | InChI=1S/C15H29N3/c16-12-15(6-1-2-7-15)13-17-10-5-14(11-17)18-8-3-4-9-18/h14H,1-13,16H2 |
| InChIKey | WOYYXBJPVLIBAO-UHFFFAOYSA-N |
| XLogP | 1.68 |
| TPSA | 32.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 251.42 |
| LogP ≤ 5 | 1.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine (CID 63168694) is [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine is NCC1(CN2CCC(N3CCCC3)C2)CCCC1.
What is the InChIKey of [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine?
The InChIKey is WOYYXBJPVLIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-12-15(6-1-2-7-15)13-17-10-5-14(11-17)18-8-3-4-9-18/h14H,1-13,16H2.
What are the key properties of [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine?
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 63168694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).