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

C13H22F3N3 — CID 79498582

IUPAC1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H22F3N3/c1-9(2)7-19-11(17)18-8-12(19)5-3-10(4-6-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18)
InChIKeyIKHBBJUBYICITF-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.76
Rot. Bonds2

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

1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498582) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498582
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H22F3N3/c1-9(2)7-19-11(17)18-8-12(19)5-3-10(4-6-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18)
InChIKeyIKHBBJUBYICITF-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-butyl-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 145963370
(5S)-5-butan-2-yl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640799
1,3-Diazaspiro94.5)dec-2-en-2-amine, 1-methyl-
CID 130255
1-(2-Methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496478
1-[2-(Dimethylamino)ethyl]-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497841
1-[2-(Dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498200
1-Propan-2-yl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498662
1-Prop-2-enyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498850
1-(2-Methoxyethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505386
1-Cyclopropyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509214
1-Methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509701
1-Propyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509745

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498582) is 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCC(C(F)(F)F)CC2.
What is the InChIKey of 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is IKHBBJUBYICITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-9(2)7-19-11(17)18-8-12(19)5-3-10(4-6-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).