4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H25N3O — CID 79959229

IUPAC4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CCCCC12C(N)=NC(=O)N2CC(C)C
InChIInChI=1S/C14H25N3O/c1-4-11-7-5-6-8-14(11)12(15)16-13(18)17(14)9-10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyGAJMKWIHWQOQNG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds3

About 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959229) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959229
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CCCCC12C(N)=NC(=O)N2CC(C)C
InChIInChI=1S/C14H25N3O/c1-4-11-7-5-6-8-14(11)12(15)16-13(18)17(14)9-10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyGAJMKWIHWQOQNG-UHFFFAOYSA-N
XLogP2.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959229) is 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CCC1CCCCC12C(N)=NC(=O)N2CC(C)C.
What is the InChIKey of 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is GAJMKWIHWQOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-11-7-5-6-8-14(11)12(15)16-13(18)17(14)9-10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).