5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine

C33H50F4N4 — CID 166548711

IUPAC5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2F)nnc(C)/c1=C/C.CCC(C)CCC(C)(CC)CC(N)CC
InChIInChI=1S/C19H19F4N3.C14H31N/c1-5-14-12(4)25-26-18(15(14)9-11(2)3)24-10-13-7-6-8-16(17(13)20)19(21,22)23;1-6-12(4)9-10-14(5,8-3)11-13(15)7-2/h5-9H,2,10H2,1,3-4H3,(H,24,26);12-13H,6-11,15H2,1-5H3/b14-5-,15-9+;
InChIKeyCLUFRXOTGVRLSZ-XTGAQLTBSA-N
MW578.78 g/mol
LogP8.07
Rot. Bonds12

About 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine

5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine (PubChem CID 166548711) has the molecular formula C33H50F4N4 and a molecular weight of 578.78 g/mol. Its IUPAC name is 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine.

Molecular Properties

Compound Name5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine
PubChem CID166548711
Molecular FormulaC33H50F4N4
Molecular Weight578.78 g/mol
Exact Mass578.40
IUPAC Name5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2F)nnc(C)/c1=C/C.CCC(C)CCC(C)(CC)CC(N)CC
InChIInChI=1S/C19H19F4N3.C14H31N/c1-5-14-12(4)25-26-18(15(14)9-11(2)3)24-10-13-7-6-8-16(17(13)20)19(21,22)23;1-6-12(4)9-10-14(5,8-3)11-13(15)7-2/h5-9H,2,10H2,1,3-4H3,(H,24,26);12-13H,6-11,15H2,1-5H3/b14-5-,15-9+;
InChIKeyCLUFRXOTGVRLSZ-XTGAQLTBSA-N
XLogP8.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.78
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 166548541
(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine;3-ethyl-1-methyl-3-(2-methylbutyl)azetidine
CID 166548573
(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-[2-(methylamino)prop-2-enylidene]pyridazin-3-amine;oxolane
CID 166548633
(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-[(Z)-2-(methylamino)pent-2-enylidene]pyridazin-3-amine;octane
CID 166548455
(4E,5E)-4-[2-(2,6-diazabicyclo[3.2.0]heptan-2-yl)prop-2-enylidene]-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methylpyridazin-3-amine;ethane
CID 166548875
(2S)-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 104867846
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
CID 122185970
3-[[[(4E,5E)-4-[(Z)-2-(2,4-dimethylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-6-methylpyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548718
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine
CID 166548770
3-[[[(4E,5E)-5-ethylidene-4-[(Z)-2-(4-formylpiperazin-1-yl)pent-2-enylidene]-6-methylpyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548549
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine?
The IUPAC name of 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine (CID 166548711) is 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine.
What is the SMILES notation for 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine?
The canonical SMILES for 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine is C=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2F)nnc(C)/c1=C/C.CCC(C)CCC(C)(CC)CC(N)CC.
What is the InChIKey of 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine?
The InChIKey is CLUFRXOTGVRLSZ-XTGAQLTBSA-N. The full InChI is InChI=1S/C19H19F4N3.C14H31N/c1-5-14-12(4)25-26-18(15(14)9-11(2)3)24-10-13-7-6-8-16(17(13)20)19(21,22)23;1-6-12(4)9-10-14(5,8-3)11-13(15)7-2/h5-9H,2,10H2,1,3-4H3,(H,24,26);12-13H,6-11,15H2,1-5H3/b14-5-,15-9+;.
What are the key properties of 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine?
5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine has a molecular weight of 578.78 g/mol, XLogP of 8.07, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine is sourced from PubChem (CID 166548711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).