3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one

C13H24N2O2 — CID 120502174

IUPAC3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
SMILESCC(N)C(C)C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(11(2)14)12(16)15-6-3-13(9-15)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3
InChIKeyHRQSSXGGJZRLIF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds2

About 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one

3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one (PubChem CID 120502174) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
PubChem CID120502174
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
SMILESCC(N)C(C)C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(11(2)14)12(16)15-6-3-13(9-15)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3
InChIKeyHRQSSXGGJZRLIF-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one (CID 120502174) is 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one is CC(N)C(C)C(=O)N1CCC2(CCOCC2)C1.
What is the InChIKey of 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one?
The InChIKey is HRQSSXGGJZRLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(11(2)14)12(16)15-6-3-13(9-15)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one?
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one is sourced from PubChem (CID 120502174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).