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

C12H20F3N3 — CID 79510627

IUPAC1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H20F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyJTEFUCNNKUJERS-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.52
Rot. Bonds2

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

1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79510627) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79510627
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H20F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyJTEFUCNNKUJERS-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79510627) is 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCN1C(N)=NCC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JTEFUCNNKUJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h9H,2-8H2,1H3,(H2,16,17).
What are the key properties of 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 263.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79510627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).