(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine

C24H29FN4 — CID 164589795

IUPAC(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine
SMILESC=C(Nc1cccc(F)c1)C1CCCC(N/C(N)=C/C=C(\N)c2ccccc2)C1
InChIInChI=1S/C24H29FN4/c1-17(28-22-12-6-10-20(25)16-22)19-9-5-11-21(15-19)29-24(27)14-13-23(26)18-7-3-2-4-8-18/h2-4,6-8,10,12-14,16,19,21,28-29H,1,5,9,11,15,26-27H2/b23-13-,24-14+
InChIKeySZYVGYDJMFYBOI-NQGGHMMCSA-N
MW392.52 g/mol
LogP4.70
Rot. Bonds7

About (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine (PubChem CID 164589795) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine
PubChem CID164589795
Molecular FormulaC24H29FN4
Molecular Weight392.52 g/mol
Exact Mass392.24
IUPAC Name(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine
SMILESC=C(Nc1cccc(F)c1)C1CCCC(N/C(N)=C/C=C(\N)c2ccccc2)C1
InChIInChI=1S/C24H29FN4/c1-17(28-22-12-6-10-20(25)16-22)19-9-5-11-21(15-19)29-24(27)14-13-23(26)18-7-3-2-4-8-18/h2-4,6-8,10,12-14,16,19,21,28-29H,1,5,9,11,15,26-27H2/b23-13-,24-14+
InChIKeySZYVGYDJMFYBOI-NQGGHMMCSA-N
XLogP4.70
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
CID 165128942
(1E,3Z)-1-N'-[3-[1-(cyclopropylmethylamino)ethenyl]phenyl]-4-phenylbuta-1,3-diene-1,1,4-triamine
CID 164589582
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044439
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134091938
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
2-[(1S,2S)-2-aminocyclohexyl]-1-cycloheptyl-3-(3-fluorophenyl)guanidine
CID 134091911
1-(3-fluorophenyl)-3-[(1S,5S)-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461746
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine (CID 164589795) is (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine is C=C(Nc1cccc(F)c1)C1CCCC(N/C(N)=C/C=C(\N)c2ccccc2)C1.
What is the InChIKey of (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is SZYVGYDJMFYBOI-NQGGHMMCSA-N. The full InChI is InChI=1S/C24H29FN4/c1-17(28-22-12-6-10-20(25)16-22)19-9-5-11-21(15-19)29-24(27)14-13-23(26)18-7-3-2-4-8-18/h2-4,6-8,10,12-14,16,19,21,28-29H,1,5,9,11,15,26-27H2/b23-13-,24-14+.
What are the key properties of (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 392.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[3-[1-(3-fluoroanilino)ethenyl]cyclohexyl]-4-phenylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 164589795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).