2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C13H21NO2 — CID 102648380

IUPAC2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c14-13(7-3-1-4-8-13)10-11(15)12-6-2-5-9-16-12/h6H,1-5,7-10,14H2
InChIKeyACOQNLWBOMPUGP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648380) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648380
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c14-13(7-3-1-4-8-13)10-11(15)12-6-2-5-9-16-12/h6H,1-5,7-10,14H2
InChIKeyACOQNLWBOMPUGP-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone 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-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648380) is 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is NC1(CC(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is ACOQNLWBOMPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c14-13(7-3-1-4-8-13)10-11(15)12-6-2-5-9-16-12/h6H,1-5,7-10,14H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).