1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol

C13H23NO2 — CID 115742103

IUPAC1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
SMILESOC(CNCC1=CCCOC1)C1CCCC1
InChIInChI=1S/C13H23NO2/c15-13(12-5-1-2-6-12)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2
InChIKeyYPIAZCMDEMMPDA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds5

About 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol

1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol (PubChem CID 115742103) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
PubChem CID115742103
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
SMILESOC(CNCC1=CCCOC1)C1CCCC1
InChIInChI=1S/C13H23NO2/c15-13(12-5-1-2-6-12)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2
InChIKeyYPIAZCMDEMMPDA-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The IUPAC name of 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol (CID 115742103) is 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol is OC(CNCC1=CCCOC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The InChIKey is YPIAZCMDEMMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(12-5-1-2-6-12)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2.
What are the key properties of 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol is sourced from PubChem (CID 115742103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).