3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C11H21N3O — CID 59128621

IUPAC3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CCC2(CC1)NCN(C)C2=O
InChIInChI=1S/C11H21N3O/c1-9(2)14-6-4-11(5-7-14)10(15)13(3)8-12-11/h9,12H,4-8H2,1-3H3
InChIKeyLYDPOJKZFPXHMH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.25
Rot. Bonds1

About 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 59128621) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID59128621
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CCC2(CC1)NCN(C)C2=O
InChIInChI=1S/C11H21N3O/c1-9(2)14-6-4-11(5-7-14)10(15)13(3)8-12-11/h9,12H,4-8H2,1-3H3
InChIKeyLYDPOJKZFPXHMH-UHFFFAOYSA-N
XLogP0.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 59128621) is 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is CC(C)N1CCC2(CC1)NCN(C)C2=O.
What is the InChIKey of 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is LYDPOJKZFPXHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-6-4-11(5-7-14)10(15)13(3)8-12-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 211.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 59128621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).