1-(1-aminocyclohexyl)-3-ethoxypropan-2-one

C11H21NO2 — CID 116578910

IUPAC1-(1-aminocyclohexyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-9-10(13)8-11(12)6-4-3-5-7-11/h2-9,12H2,1H3
InChIKeyKMPIVXQAEXFMKC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.64
Rot. Bonds5

About 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one

1-(1-aminocyclohexyl)-3-ethoxypropan-2-one (PubChem CID 116578910) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-3-ethoxypropan-2-one
PubChem CID116578910
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(1-aminocyclohexyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-9-10(13)8-11(12)6-4-3-5-7-11/h2-9,12H2,1H3
InChIKeyKMPIVXQAEXFMKC-UHFFFAOYSA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one 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 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one (CID 116578910) is 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one is CCOCC(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one?
The InChIKey is KMPIVXQAEXFMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-9-10(13)8-11(12)6-4-3-5-7-11/h2-9,12H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one?
1-(1-aminocyclohexyl)-3-ethoxypropan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-3-ethoxypropan-2-one is sourced from PubChem (CID 116578910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).