(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

C31H45F3N4 — CID 166548573

IUPAC(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
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C.CCC(C)CC1(CC)CN(C)C1
InChIInChI=1S/C20H22F3N3.C11H23N/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23;1-5-10(3)7-11(6-2)8-12(4)9-11/h6-10H,2,11H2,1,3-5H3,(H,24,26);10H,5-9H2,1-4H3/b16-6-,17-10+;
InChIKeyLDLHJQVOKYCZKG-NRQWDNCKSA-N
MW530.72 g/mol
LogP6.65
Rot. Bonds8

About (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

(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 (PubChem CID 166548573) has the molecular formula C31H45F3N4 and a molecular weight of 530.72 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166548573
Molecular FormulaC31H45F3N4
Molecular Weight530.72 g/mol
Exact Mass530.36
IUPAC Name(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
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C.CCC(C)CC1(CC)CN(C)C1
InChIInChI=1S/C20H22F3N3.C11H23N/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23;1-5-10(3)7-11(6-2)8-12(4)9-11/h6-10H,2,11H2,1,3-5H3,(H,24,26);10H,5-9H2,1-4H3/b16-6-,17-10+;
InChIKeyLDLHJQVOKYCZKG-NRQWDNCKSA-N
XLogP6.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
(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
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-[7-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-12-propan-2-yl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone
CID 166476503
6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
CID 171504317
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
6,7-dimethoxy-4-methyl-N-[2-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 156504197
3-[[[(4E,5E)-4-(2-chloroprop-2-enylidene)-6-[(dimethylamino)methyl]-5-ethylidenepyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548851
7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166217

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C.CCC(C)CC1(CC)CN(C)C1.
What is the InChIKey of (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?
The InChIKey is LDLHJQVOKYCZKG-NRQWDNCKSA-N. The full InChI is InChI=1S/C20H22F3N3.C11H23N/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23;1-5-10(3)7-11(6-2)8-12(4)9-11/h6-10H,2,11H2,1,3-5H3,(H,24,26);10H,5-9H2,1-4H3/b16-6-,17-10+;.
What are the key properties of (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?
(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 has a molecular weight of 530.72 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).