About [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol (PubChem CID 114196891) has the molecular formula C14H26N2O
and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol.
Molecular Properties
| Compound Name | [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol |
| PubChem CID | 114196891 |
| Molecular Formula | C14H26N2O |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.20 |
| IUPAC Name | [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol |
| SMILES | NC1(CO)CCC(N2CC3CCCC(C3)C2)C1 |
| InChI | InChI=1S/C14H26N2O/c15-14(10-17)5-4-13(7-14)16-8-11-2-1-3-12(6-11)9-16/h11-13,17H,1-10,15H2 |
| InChIKey | SAPHBMODTDZJPN-UHFFFAOYSA-N |
| XLogP | 1.35 |
| TPSA | 49.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.37 |
| LogP ≤ 5 | 1.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol (CID 114196891) is [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol is NC1(CO)CCC(N2CC3CCCC(C3)C2)C1.
What is the InChIKey of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The InChIKey is SAPHBMODTDZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(10-17)5-4-13(7-14)16-8-11-2-1-3-12(6-11)9-16/h11-13,17H,1-10,15H2.
What are the key properties of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol is sourced from PubChem (CID 114196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).