2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol

C11H19NO2 — CID 115742140

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
SMILESOC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C11H19NO2/c13-11-5-1-4-10(11)12-7-9-3-2-6-14-8-9/h3,10-13H,1-2,4-8H2
InChIKeyYRLFWHINDBAVAU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.84
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol (PubChem CID 115742140) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
PubChem CID115742140
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
SMILESOC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C11H19NO2/c13-11-5-1-4-10(11)12-7-9-3-2-6-14-8-9/h3,10-13H,1-2,4-8H2
InChIKeyYRLFWHINDBAVAU-UHFFFAOYSA-N
XLogP0.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexan-1-ol
CID 111698364
[1-[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 112353611
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 115674346
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-2-ol
CID 115742058
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
CID 115763787
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115896018
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine
CID 115896025
4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol
CID 115974791
trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol
CID 122237068
trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
CID 122237287
cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
CID 130610162
trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol
CID 130671895

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol (CID 115742140) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol is OC1CCCC1NCC1=CCCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The InChIKey is YRLFWHINDBAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-5-1-4-10(11)12-7-9-3-2-6-14-8-9/h3,10-13H,1-2,4-8H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 115742140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).