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

C13H25NO2 — CID 102648102

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-4-13(5-2,16-6-3)12(14)11-9-7-8-10-15-11/h9,12H,4-8,10,14H2,1-3H3
InChIKeyKHDMGFXJHCRNEG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.60
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine (PubChem CID 102648102) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine
PubChem CID102648102
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-4-13(5-2,16-6-3)12(14)11-9-7-8-10-15-11/h9,12H,4-8,10,14H2,1-3H3
InChIKeyKHDMGFXJHCRNEG-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.60
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-ethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine (CID 102648102) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine is CCOC(CC)(CC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine?
The InChIKey is KHDMGFXJHCRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13(5-2,16-6-3)12(14)11-9-7-8-10-15-11/h9,12H,4-8,10,14H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.60, 6 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-ethylbutan-1-amine is sourced from PubChem (CID 102648102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).