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

C11H21NO2 — CID 115742162

IUPAC3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-2-11(5-6-13)12-8-10-4-3-7-14-9-10/h4,11-13H,2-3,5-9H2,1H3
InChIKeyFHKJCRANLDFAFS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds6

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

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol (PubChem CID 115742162) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol
PubChem CID115742162
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-2-11(5-6-13)12-8-10-4-3-7-14-9-10/h4,11-13H,2-3,5-9H2,1H3
InChIKeyFHKJCRANLDFAFS-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
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 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol (CID 115742162) is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol is CCC(CCO)NCC1=CCCOC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol?
The InChIKey is FHKJCRANLDFAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-11(5-6-13)12-8-10-4-3-7-14-9-10/h4,11-13H,2-3,5-9H2,1H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol?
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 115742162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).