1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine

C8H15NO2 — CID 102647272

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine
SMILESCOCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NO2/c1-10-6-7(9)8-4-2-3-5-11-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyZQBGHRTWFUGNGO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine (PubChem CID 102647272) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine
PubChem CID102647272
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine
SMILESCOCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NO2/c1-10-6-7(9)8-4-2-3-5-11-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyZQBGHRTWFUGNGO-UHFFFAOYSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine (CID 102647272) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine is COCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine?
The InChIKey is ZQBGHRTWFUGNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-10-6-7(9)8-4-2-3-5-11-8/h4,7H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine has a molecular weight of 157.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine is sourced from PubChem (CID 102647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).