(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide

C15H19FN4 — CID 123153052

IUPAC(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide
SMILESC=NN(Cc1ccc(F)cc1)C(=C)/C(C)=C/C(N)=N/C
InChIInChI=1S/C15H19FN4/c1-11(9-15(17)18-3)12(2)20(19-4)10-13-5-7-14(16)8-6-13/h5-9H,2,4,10H2,1,3H3,(H2,17,18)/b11-9+
InChIKeyBDGVZWVTRNIARH-PKNBQFBNSA-N
MW274.34 g/mol
LogP2.69
Rot. Bonds6

About (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide

(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide (PubChem CID 123153052) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide
PubChem CID123153052
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide
SMILESC=NN(Cc1ccc(F)cc1)C(=C)/C(C)=C/C(N)=N/C
InChIInChI=1S/C15H19FN4/c1-11(9-15(17)18-3)12(2)20(19-4)10-13-5-7-14(16)8-6-13/h5-9H,2,4,10H2,1,3H3,(H2,17,18)/b11-9+
InChIKeyBDGVZWVTRNIARH-PKNBQFBNSA-N
XLogP2.69
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 44419840
CID 44419840
N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865
CID 44419867
CID 44419867
CID 44419878
CID 44419878
CID 44419900
CID 44419900
CID 44419907
CID 44419907
CID 44419920
CID 44419920
N,N-diethyl-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419896
N-[(4-fluorophenyl)methyl]-1-(6-imino-1,5-dimethylpyrimidin-4-yl)ethenamine
CID 68225874
N-[(3,4-difluorophenyl)methyl]-1-[1-[(Z)-ethylideneamino]-6-methyl-2-methylidenepyrimidin-4-yl]ethenamine
CID 88260540
(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
CID 89170057
N-[(1Z,5Z,7E)-8-amino-2-ethenyl-7-fluoro-5-[1-(methylamino)ethenyl]-4-methylideneocta-1,5,7-trienyl]-N'-[(2,5-difluorophenyl)methyl]ethanimidamide
CID 89270664

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide (CID 123153052) is (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide is C=NN(Cc1ccc(F)cc1)C(=C)/C(C)=C/C(N)=N/C.
What is the InChIKey of (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide?
The InChIKey is BDGVZWVTRNIARH-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11(9-15(17)18-3)12(2)20(19-4)10-13-5-7-14(16)8-6-13/h5-9H,2,4,10H2,1,3H3,(H2,17,18)/b11-9+.
What are the key properties of (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide?
(2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide has a molecular weight of 274.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[(4-fluorophenyl)methyl-(methylideneamino)amino]-N',3-dimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 123153052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).