2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide

C12H22N2O2 — CID 80715851

IUPAC2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCOC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-16-8-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyXBOBVAXWDCGYKZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide

2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide (PubChem CID 80715851) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
PubChem CID80715851
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCOC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-16-8-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyXBOBVAXWDCGYKZ-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
2-(3-aminocyclohexyl)-N-(oxolan-3-ylmethyl)acetamide
CID 62825268
N-(oxolan-3-yl)-2-piperidin-3-ylacetamide
CID 80713340
2-(2-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
CID 80715499
N-(oxolan-3-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130763263
N-(3-aminocyclohexyl)-2-cyclopropylacetamide
CID 83619282
N-(oxan-3-yl)-2-piperidin-3-ylacetamide
CID 63361348
N-(3-aminocyclopentyl)-2-cyclopentylacetamide
CID 115272899
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
N-hydroxy-5-[2-oxo-2-[[(3R)-oxolan-3-yl]amino]ethyl]piperidine-3-carboxamide
CID 87867990
1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
CID 115759113
2-(1-aminocyclopentyl)-N-(oxolan-3-yl)acetamide
CID 80713240

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide (CID 80715851) is 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide is NC1CCCC(CC(=O)NC2CCOC2)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide?
The InChIKey is XBOBVAXWDCGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-16-8-11/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide?
2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 80715851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).