1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

C17H33NO3 — CID 116759847

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H33NO3/c1-5-17(6-2,20-7-3)15(18-4)14-8-10-21-16(12-14)9-11-19-13-16/h14-15,18H,5-13H2,1-4H3
InChIKeyGLOGOGSEUUJONY-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.76
Rot. Bonds7

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (PubChem CID 116759847) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
PubChem CID116759847
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H33NO3/c1-5-17(6-2,20-7-3)15(18-4)14-8-10-21-16(12-14)9-11-19-13-16/h14-15,18H,5-13H2,1-4H3
InChIKeyGLOGOGSEUUJONY-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
[2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105275240
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
CID 116752624
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N-methylbutan-1-amine
CID 113391381
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (CID 116759847) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is CCOC(CC)(CC)C(NC)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The InChIKey is GLOGOGSEUUJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-17(6-2,20-7-3)15(18-4)14-8-10-21-16(12-14)9-11-19-13-16/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine has a molecular weight of 299.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 116759847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).