4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol

C12H23NO2 — CID 115974791

IUPAC4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol
SMILESCC(CCCO)NCCC1=CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(3-2-8-14)13-7-4-12-5-9-15-10-6-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyBBCYJAIVGPJEDZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds7

About 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol

4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol (PubChem CID 115974791) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol
PubChem CID115974791
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol
SMILESCC(CCCO)NCCC1=CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(3-2-8-14)13-7-4-12-5-9-15-10-6-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyBBCYJAIVGPJEDZ-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol (CID 115974791) is 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol is CC(CCCO)NCCC1=CCOCC1.
What is the InChIKey of 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol?
The InChIKey is BBCYJAIVGPJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(3-2-8-14)13-7-4-12-5-9-15-10-6-12/h5,11,13-14H,2-4,6-10H2,1H3.
What are the key properties of 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol?
4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115974791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).