1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C11H21NO2 — CID 105179267

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-8-10(12)9-5-4-6-13-7-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyLEFABXXFPZNGMJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105179267) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105179267
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-8-10(12)9-5-4-6-13-7-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyLEFABXXFPZNGMJ-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216169
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475118
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxypropan-1-amine
CID 104058661
1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxyethanamine
CID 104058671
1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxy-N-methylethanamine
CID 104058672
1-(3,4-dihydro-2H-pyran-5-yl)-2-propoxyethanamine
CID 104058705
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-propoxyethanamine
CID 104058706
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-propoxyethanamine
CID 104058707
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-propoxyethyl]propan-1-amine
CID 104058708
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropan-1-amine
CID 104058889
3,4-dihydro-2H-pyran-5-yl(oxolan-2-yl)methanamine
CID 104058953
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxyethanamine
CID 104059032

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105179267) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is LEFABXXFPZNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-8-10(12)9-5-4-6-13-7-9/h7,10H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 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-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105179267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).