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

C8H15NO2 — CID 143974338

IUPAC2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol
SMILESOCCNCC1C=CCCO1
InChIInChI=1S/C8H15NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h1,3,8-10H,2,4-7H2
InChIKeyLYTRRUINANQQGS-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.09
Rot. Bonds4

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

2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol (PubChem CID 143974338) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol
PubChem CID143974338
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol
SMILESOCCNCC1C=CCCO1
InChIInChI=1S/C8H15NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h1,3,8-10H,2,4-7H2
InChIKeyLYTRRUINANQQGS-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

2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
2-But-1-enylmorpholine
CID 68590433
2-(But-1-en-1-yl)morpholine
CID 87508389
2-(2-Cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
CID 89009955
2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
CID 91058078
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine
CID 143974244
3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propane-1,2-diol
CID 143974263
1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 143974279
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine
CID 143974324
2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
CID 143974337
2-Buta-1,3-dienylmorpholine
CID 173350866

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol (CID 143974338) is 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol is OCCNCC1C=CCCO1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol?
The InChIKey is LYTRRUINANQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h1,3,8-10H,2,4-7H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol?
2-(3,6-dihydro-2H-pyran-6-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-6-ylmethylamino)ethanol is sourced from PubChem (CID 143974338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).