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

C8H15NO2 — CID 131224218

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
SMILESOCCNCC1=CCCOC1
InChIInChI=1S/C8H15NO2/c10-4-3-9-6-8-2-1-5-11-7-8/h2,9-10H,1,3-7H2
InChIKeyIDLOOGKXCUXDGH-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.09
Rot. Bonds4

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

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol (PubChem CID 131224218) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
PubChem CID131224218
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol
SMILESOCCNCC1=CCCOC1
InChIInChI=1S/C8H15NO2/c10-4-3-9-6-8-2-1-5-11-7-8/h2,9-10H,1,3-7H2
InChIKeyIDLOOGKXCUXDGH-UHFFFAOYSA-N
XLogP-0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 115741896
2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
CID 91144788
2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol
CID 143974338
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
CID 103816346
(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103854812
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103924414
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 104588142
2-[butyl(3,6-dihydro-2H-pyran-5-ylmethyl)amino]ethanol
CID 109926132
2-[3,6-dihydro-2H-pyran-5-ylmethyl(2-methoxyethyl)amino]ethanol
CID 109931938
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 112353576

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol (CID 131224218) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol is OCCNCC1=CCCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
The InChIKey is IDLOOGKXCUXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-4-3-9-6-8-2-1-5-11-7-8/h2,9-10H,1,3-7H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethanol has a molecular weight of 157.21 g/mol, XLogP of -0.09, 4 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)ethanol is sourced from PubChem (CID 131224218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).