[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone

C11H20N2O2 — CID 107217496

IUPAC[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNCC1CCCCC1C(=O)N1CC(O)C1
InChIInChI=1S/C11H20N2O2/c12-5-8-3-1-2-4-10(8)11(15)13-6-9(14)7-13/h8-10,14H,1-7,12H2
InChIKeyMCOZAIULJDHRCF-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.05
Rot. Bonds2

About [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone

[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 107217496) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID107217496
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNCC1CCCCC1C(=O)N1CC(O)C1
InChIInChI=1S/C11H20N2O2/c12-5-8-3-1-2-4-10(8)11(15)13-6-9(14)7-13/h8-10,14H,1-7,12H2
InChIKeyMCOZAIULJDHRCF-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone (CID 107217496) is [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone is NCC1CCCCC1C(=O)N1CC(O)C1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is MCOZAIULJDHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-5-8-3-1-2-4-10(8)11(15)13-6-9(14)7-13/h8-10,14H,1-7,12H2.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone?
[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107217496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).