3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine

C18H33NO2 — CID 105017087

IUPAC3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C18H33NO2/c1-2-19-17(8-7-15-5-3-4-6-15)16-9-11-21-18(13-16)10-12-20-14-18/h15-17,19H,2-14H2,1H3
InChIKeyATEAADLFFJASGR-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.52
Rot. Bonds6

About 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine

3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine (PubChem CID 105017087) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
PubChem CID105017087
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C18H33NO2/c1-2-19-17(8-7-15-5-3-4-6-15)16-9-11-21-18(13-16)10-12-20-14-18/h15-17,19H,2-14H2,1H3
InChIKeyATEAADLFFJASGR-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
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-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105325538
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine (CID 105017087) is 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine is CCNC(CCC1CCCC1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine?
The InChIKey is ATEAADLFFJASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-19-17(8-7-15-5-3-4-6-15)16-9-11-21-18(13-16)10-12-20-14-18/h15-17,19H,2-14H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine?
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 105017087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).