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

C13H24N2O2 — CID 79919359

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(14)8-15(9-12)11-3-5-17-13(7-11)4-6-16-10-13/h11H,2-10,14H2,1H3
InChIKeyFVUNSLCDZVELDH-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine (PubChem CID 79919359) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine
PubChem CID79919359
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(14)8-15(9-12)11-3-5-17-13(7-11)4-6-16-10-13/h11H,2-10,14H2,1H3
InChIKeyFVUNSLCDZVELDH-UHFFFAOYSA-N
XLogP0.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 79898066
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316834
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)azetidin-3-ol
CID 79920651
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784497
8-(2,6-dioxaspiro[4.5]decan-9-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 79902000

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine (CID 79919359) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine is CCC1(N)CN(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine?
The InChIKey is FVUNSLCDZVELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(14)8-15(9-12)11-3-5-17-13(7-11)4-6-16-10-13/h11H,2-10,14H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine has a molecular weight of 240.35 g/mol, XLogP of 0.75, 2 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)-3-ethylazetidin-3-amine is sourced from PubChem (CID 79919359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).