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

C10H16F3N3 — CID 79509701

IUPAC1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C10H16F3N3/c1-16-8(14)15-6-9(16)4-2-7(3-5-9)10(11,12)13/h7H,2-6H2,1H3,(H2,14,15)
InChIKeyZMYUVCZJLSKBHF-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.74
Rot. Bonds

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

1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509701) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509701
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C10H16F3N3/c1-16-8(14)15-6-9(16)4-2-7(3-5-9)10(11,12)13/h7H,2-6H2,1H3,(H2,14,15)
InChIKeyZMYUVCZJLSKBHF-UHFFFAOYSA-N
XLogP1.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79509701) is 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CN1C(N)=NCC12CCC(C(F)(F)F)CC2.
What is the InChIKey of 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is ZMYUVCZJLSKBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-16-8(14)15-6-9(16)4-2-7(3-5-9)10(11,12)13/h7H,2-6H2,1H3,(H2,14,15).
What are the key properties of 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 235.25 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).