N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide

C19H27F3N6O — CID 143789877

IUPACN-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide
SMILESC=C(NC)N/C(=N\C(C)=N\CCN1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H27F3N6O/c1-14(23-3)25-18(27-17-6-4-5-16(13-17)19(20,21)22)26-15(2)24-7-8-28-9-11-29-12-10-28/h4-6,13,23H,1,7-12H2,2-3H3,(H2,24,25,26,27)
InChIKeyKVOVHISLGPDGIM-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.50
Rot. Bonds6

About N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide

N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide (PubChem CID 143789877) has the molecular formula C19H27F3N6O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide.

Molecular Properties

Compound NameN-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide
PubChem CID143789877
Molecular FormulaC19H27F3N6O
Molecular Weight412.46 g/mol
Exact Mass412.22
IUPAC NameN-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide
SMILESC=C(NC)N/C(=N\C(C)=N\CCN1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H27F3N6O/c1-14(23-3)25-18(27-17-6-4-5-16(13-17)19(20,21)22)26-15(2)24-7-8-28-9-11-29-12-10-28/h4-6,13,23H,1,7-12H2,2-3H3,(H2,24,25,26,27)
InChIKeyKVOVHISLGPDGIM-UHFFFAOYSA-N
XLogP2.50
TPSA73.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
1-N-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-1-N'-[3-(trifluoromethyl)phenyl]ethene-1,1-diamine
CID 89264866
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
4-ethyl-N-[N-(3-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]benzamide
CID 50819647
N-[N-(4-methoxyphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 50819416
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 110456556
methyl 3-[[N-(4-fluorobenzoyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]benzoate
CID 50819477
1-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 148671648

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The IUPAC name of N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide (CID 143789877) is N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide.
What is the SMILES notation for N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The canonical SMILES for N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide is C=C(NC)N/C(=N\C(C)=N\CCN1CCOCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The InChIKey is KVOVHISLGPDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O/c1-14(23-3)25-18(27-17-6-4-5-16(13-17)19(20,21)22)26-15(2)24-7-8-28-9-11-29-12-10-28/h4-6,13,23H,1,7-12H2,2-3H3,(H2,24,25,26,27).
What are the key properties of N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide?
N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide has a molecular weight of 412.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylamino)ethenylamino]-[3-(trifluoromethyl)anilino]methylidene]-N'-(2-morpholin-4-ylethyl)ethanimidamide is sourced from PubChem (CID 143789877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).