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

C10H21NO3 — CID 143974337

IUPAC2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
SMILESCCO.OCCNCC1C=CCCO1
InChIInChI=1S/C8H15NO2.C2H6O/c10-5-4-9-7-8-3-1-2-6-11-8;1-2-3/h1,3,8-10H,2,4-7H2;3H,2H2,1H3
InChIKeyPREZITLMTCKYHF-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.09
Rot. Bonds4

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

2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol (PubChem CID 143974337) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
PubChem CID143974337
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
SMILESCCO.OCCNCC1C=CCCO1
InChIInChI=1S/C8H15NO2.C2H6O/c10-5-4-9-7-8-3-1-2-6-11-8;1-2-3/h1,3,8-10H,2,4-7H2;3H,2H2,1H3
InChIKeyPREZITLMTCKYHF-UHFFFAOYSA-N
XLogP-0.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol (CID 143974337) is 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol is CCO.OCCNCC1C=CCCO1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol?
The InChIKey is PREZITLMTCKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6O/c10-5-4-9-7-8-3-1-2-6-11-8;1-2-3/h1,3,8-10H,2,4-7H2;3H,2H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol?
2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol has a molecular weight of 203.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol is sourced from PubChem (CID 143974337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).