About 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol (PubChem CID 115976095) has the molecular formula C11H23NO2
and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol.
Molecular Properties
| Compound Name | 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol |
| PubChem CID | 115976095 |
| Molecular Formula | C11H23NO2 |
| Molecular Weight | 201.31 g/mol |
| Exact Mass | 201.17 |
| IUPAC Name | 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol |
| SMILES | CC(CCCO)NC1(CO)CCCC1 |
| InChI | InChI=1S/C11H23NO2/c1-10(5-4-8-13)12-11(9-14)6-2-3-7-11/h10,12-14H,2-9H2,1H3 |
| InChIKey | YTPRRIOKJKTBNX-UHFFFAOYSA-N |
| XLogP | 1.04 |
| TPSA | 52.49 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.31 |
| LogP ≤ 5 | 1.04 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol (CID 115976095) is 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol is CC(CCCO)NC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
The InChIKey is YTPRRIOKJKTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(5-4-8-13)12-11(9-14)6-2-3-7-11/h10,12-14H,2-9H2,1H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol?
4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol is sourced from PubChem (CID 115976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).