1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C12H20F3N3O — CID 79505386

IUPAC1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C12H20F3N3O/c1-19-7-6-18-10(16)17-8-11(18)4-2-9(3-5-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyCWOYPBVLFHOLSH-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505386) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505386
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C12H20F3N3O/c1-19-7-6-18-10(16)17-8-11(18)4-2-9(3-5-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyCWOYPBVLFHOLSH-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

Analyze 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505386) is 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is COCCN1C(N)=NCC12CCC(C(F)(F)F)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is CWOYPBVLFHOLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-19-7-6-18-10(16)17-8-11(18)4-2-9(3-5-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17).
What are the key properties of 1-(2-methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methoxyethyl)-8-(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)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).