2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one

C13H23NO3 — CID 116548972

IUPAC2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-9(2)11(14)12(15)10-3-5-17-13(7-10)4-6-16-8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyOHIRFSOHYYXYEN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one

2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one (PubChem CID 116548972) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
PubChem CID116548972
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-9(2)11(14)12(15)10-3-5-17-13(7-10)4-6-16-8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyOHIRFSOHYYXYEN-UHFFFAOYSA-N
XLogP1.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
CID 116709110
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-one
CID 116597911
2-amino-3-methyl-1-(oxolan-3-yl)butan-1-one
CID 116548922

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one (CID 116548972) is 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one?
The InChIKey is OHIRFSOHYYXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)11(14)12(15)10-3-5-17-13(7-10)4-6-16-8-13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one?
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one is sourced from PubChem (CID 116548972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).