5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H23F3N6 — CID 169374411

IUPAC5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCN(C)c1ccc(C(F)(F)F)cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H23F3N6/c1-25(2)12-7-6-11(17(18,19)20)10-13(12)26-15(22)23-14(21)24-16(26)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,21,22,23,24)
InChIKeyCVAHHLGNIUIKNO-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.88
Rot. Bonds2

About 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374411) has the molecular formula C17H23F3N6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169374411
Molecular FormulaC17H23F3N6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCN(C)c1ccc(C(F)(F)F)cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H23F3N6/c1-25(2)12-7-6-11(17(18,19)20)10-13(12)26-15(22)23-14(21)24-16(26)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,21,22,23,24)
InChIKeyCVAHHLGNIUIKNO-UHFFFAOYSA-N
XLogP2.88
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374411) is 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CN(C)c1ccc(C(F)(F)F)cc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is CVAHHLGNIUIKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6/c1-25(2)12-7-6-11(17(18,19)20)10-13(12)26-15(22)23-14(21)24-16(26)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,21,22,23,24).
What are the key properties of 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 368.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).