1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine

C11H21NO2 — CID 102648091

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-4-14-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyRCGYOICPGJUBSL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine (PubChem CID 102648091) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine
PubChem CID102648091
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-4-14-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyRCGYOICPGJUBSL-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine (CID 102648091) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is RCGYOICPGJUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 4 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-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 102648091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).