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

C12H18F3N3 — CID 79497491

IUPAC1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h2,9H,1,3-8H2,(H2,16,17)
InChIKeyIOKBRNSWZYLXQS-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.29
Rot. Bonds2

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

1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497491) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497491
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h2,9H,1,3-8H2,(H2,16,17)
InChIKeyIOKBRNSWZYLXQS-UHFFFAOYSA-N
XLogP2.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496478
1-[2-(Dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498200
1-Prop-2-enyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498850
1-Propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509772
1-Ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510041
1-Propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510627
1-Methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510807
1-Butan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514293
1-(Cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521931
5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
CID 116536429
1-Prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496572
8-Ethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496756

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497491) is 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is C=CCN1C(N)=NCC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is IOKBRNSWZYLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-6-18-10(16)17-8-11(18)5-3-4-9(7-11)12(13,14)15/h2,9H,1,3-8H2,(H2,16,17).
What are the key properties of 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).