[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

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Related Compounds

[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180772
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957097
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
[2-(aminomethyl)cyclohexyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743617
(3-hydroxyazetidin-1-yl)-(2-hydroxycyclopentyl)methanone
CID 127009481
2-[2-(aminomethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855324
2-[1-[2-(aminomethyl)cyclohexanecarbonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658176
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone
CID 82746420
[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695746
tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
CID 102559856
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

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).