1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

C12H23NO2 — CID 102647782

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)(C)OC
InChIInChI=1S/C12H23NO2/c1-5-13-11(12(2,3)14-4)10-8-6-7-9-15-10/h8,11,13H,5-7,9H2,1-4H3
InChIKeyKWXTXHBUDFMOHG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (PubChem CID 102647782) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
PubChem CID102647782
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)(C)OC
InChIInChI=1S/C12H23NO2/c1-5-13-11(12(2,3)14-4)10-8-6-7-9-15-10/h8,11,13H,5-7,9H2,1-4H3
InChIKeyKWXTXHBUDFMOHG-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
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)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (CID 102647782) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is CCNC(C1=CCCCO1)C(C)(C)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The InChIKey is KWXTXHBUDFMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-13-11(12(2,3)14-4)10-8-6-7-9-15-10/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.08, 5 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)-N-ethyl-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 102647782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).