(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine

C10H20F3N3 — CID 141113523

IUPAC(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine
SMILESCN(C)/C=C(\C(N(C)C)N(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N3/c1-14(2)7-8(10(11,12)13)9(15(3)4)16(5)6/h7,9H,1-6H3/b8-7+
InChIKeyAAGLCUXCCHXURD-BQYQJAHWSA-N
MW239.28 g/mol
LogP1.44
Rot. Bonds4

About (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine

(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine (PubChem CID 141113523) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine.

Molecular Properties

Compound Name(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine
PubChem CID141113523
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine
SMILESCN(C)/C=C(\C(N(C)C)N(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N3/c1-14(2)7-8(10(11,12)13)9(15(3)4)16(5)6/h7,9H,1-6H3/b8-7+
InChIKeyAAGLCUXCCHXURD-BQYQJAHWSA-N
XLogP1.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,1-N',1-N',3-N,3-N,2-heptamethylprop-2-ene-1,1,3-triamine
CID 71333716
(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
CID 177424465
(Z)-4-(dimethylamino)-1,1,1-trifluoro-3-iodobut-3-en-2-one
CID 134996148
[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
CID 85377738
(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile
CID 162754087
2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 123799783
(3Z)-1,1,1-trichloro-3-(dimethylaminomethylidene)-5,5,5-trifluoropentane-2,4-dione
CID 135009627
(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol
CID 165157103
2-(dimethylaminomethylidene)-3-methylbutanoic acid
CID 54256817
(E)-4-methyl-3-(trifluoromethyl)hex-2-ene
CID 162547345
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine
CID 134292209

Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine?
The IUPAC name of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine (CID 141113523) is (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine.
What is the SMILES notation for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine?
The canonical SMILES for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine is CN(C)/C=C(\C(N(C)C)N(C)C)C(F)(F)F.
What is the InChIKey of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine?
The InChIKey is AAGLCUXCCHXURD-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-14(2)7-8(10(11,12)13)9(15(3)4)16(5)6/h7,9H,1-6H3/b8-7+.
What are the key properties of (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine?
(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine has a molecular weight of 239.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine is sourced from PubChem (CID 141113523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).