2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one

C13H20F3N3O — CID 82998975

IUPAC2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)NC1=NC2(CCCC(C(F)(F)F)C2)C(=O)N1
InChIInChI=1S/C13H20F3N3O/c1-11(2,3)18-10-17-9(20)12(19-10)6-4-5-8(7-12)13(14,15)16/h8H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyCPGWOHNEWIWXER-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.35
Rot. Bonds

About 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one

2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 82998975) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID82998975
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)NC1=NC2(CCCC(C(F)(F)F)C2)C(=O)N1
InChIInChI=1S/C13H20F3N3O/c1-11(2,3)18-10-17-9(20)12(19-10)6-4-5-8(7-12)13(14,15)16/h8H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyCPGWOHNEWIWXER-UHFFFAOYSA-N
XLogP2.35
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 82998975) is 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one is CC(C)(C)NC1=NC2(CCCC(C(F)(F)F)C2)C(=O)N1.
What is the InChIKey of 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is CPGWOHNEWIWXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-11(2,3)18-10-17-9(20)12(19-10)6-4-5-8(7-12)13(14,15)16/h8H,4-7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 291.32 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82998975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).