1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C12H20F3N3O — CID 79505613

IUPAC1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H20F3N3O/c1-19-6-5-18-10(16)17-8-11(18)4-2-3-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyLJRXKJUTJWEAIA-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505613) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505613
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H20F3N3O/c1-19-6-5-18-10(16)17-8-11(18)4-2-3-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyLJRXKJUTJWEAIA-UHFFFAOYSA-N
XLogP1.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496478
1-[2-(Dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498200
1-(Oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499398
1-(2-Methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505386
1-Propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509772
1-Ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510041
1-Propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510627
1-Butan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514293
4-Amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79966914
1-(2-methoxyethyl)-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
CID 113534029
5-Cyclohexyl-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504632
1-(2-Methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504702

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505613) is 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is COCCN1C(N)=NCC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LJRXKJUTJWEAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-19-6-5-18-10(16)17-8-11(18)4-2-3-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17).
What are the key properties of 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).