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

C11H18F3N3 — CID 79509834

IUPAC1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H18F3N3/c1-2-17-9(15)16-7-10(17)5-3-8(4-6-10)11(12,13)14/h8H,2-7H2,1H3,(H2,15,16)
InChIKeyLHRDSQYUMWLDHN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.13
Rot. Bonds1

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

1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509834) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509834
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H18F3N3/c1-2-17-9(15)16-7-10(17)5-3-8(4-6-10)11(12,13)14/h8H,2-7H2,1H3,(H2,15,16)
InChIKeyLHRDSQYUMWLDHN-UHFFFAOYSA-N
XLogP2.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79509834) is 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCN1C(N)=NCC12CCC(C(F)(F)F)CC2.
What is the InChIKey of 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LHRDSQYUMWLDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-2-17-9(15)16-7-10(17)5-3-8(4-6-10)11(12,13)14/h8H,2-7H2,1H3,(H2,15,16).
What are the key properties of 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).