1-(2-aminocyclohexyl)-2-ethoxyethanone

C10H19NO2 — CID 116579787

IUPAC1-(2-aminocyclohexyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CCCCC1N
InChIInChI=1S/C10H19NO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3
InChIKeyMJLDJLSTTUIOHM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds4

About 1-(2-aminocyclohexyl)-2-ethoxyethanone

1-(2-aminocyclohexyl)-2-ethoxyethanone (PubChem CID 116579787) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-ethoxyethanone
PubChem CID116579787
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-aminocyclohexyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CCCCC1N
InChIInChI=1S/C10H19NO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3
InChIKeyMJLDJLSTTUIOHM-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-ethoxyethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-ethoxyethanone (CID 116579787) is 1-(2-aminocyclohexyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-ethoxyethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-ethoxyethanone is CCOCC(=O)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-ethoxyethanone?
The InChIKey is MJLDJLSTTUIOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-ethoxyethanone?
1-(2-aminocyclohexyl)-2-ethoxyethanone has a molecular weight of 185.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-ethoxyethanone is sourced from PubChem (CID 116579787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).