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

C12H21NO2 — CID 102648021

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine
SMILESNC(CC1CCCCO1)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c13-11(12-6-2-4-8-15-12)9-10-5-1-3-7-14-10/h6,10-11H,1-5,7-9,13H2
InChIKeyUTGBJSZWYZISJH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 102648021) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine
PubChem CID102648021
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine
SMILESNC(CC1CCCCO1)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c13-11(12-6-2-4-8-15-12)9-10-5-1-3-7-14-10/h6,10-11H,1-5,7-9,13H2
InChIKeyUTGBJSZWYZISJH-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
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-(oxan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine (CID 102648021) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine is NC(CC1CCCCO1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is UTGBJSZWYZISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-11(12-6-2-4-8-15-12)9-10-5-1-3-7-14-10/h6,10-11H,1-5,7-9,13H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.97, 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-(oxan-2-yl)ethanamine is sourced from PubChem (CID 102648021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).