4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H20F3N3O — CID 79960884

IUPAC4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H20F3N3O/c1-8(2)7-19-11(20)18-10(17)12(19)5-3-9(4-6-12)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyKEBBCXYNHOFUCN-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.93
Rot. Bonds2

About 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960884) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960884
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H20F3N3O/c1-8(2)7-19-11(20)18-10(17)12(19)5-3-9(4-6-12)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,20)
InChIKeyKEBBCXYNHOFUCN-UHFFFAOYSA-N
XLogP2.93
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960884) is 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCC(C(F)(F)F)CC2.
What is the InChIKey of 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is KEBBCXYNHOFUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8(2)7-19-11(20)18-10(17)12(19)5-3-9(4-6-12)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,20).
What are the key properties of 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 291.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).