N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline

C16H16N2 — CID 6256661

IUPACN-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
SMILESCC(/C=C/c1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C16H16N2/c1-14(12-13-15-8-4-2-5-9-15)17-18-16-10-6-3-7-11-16/h2-13,18H,1H3/b13-12+,17-14-
InChIKeyZIKCEPRFGILSQT-SQCSQLHISA-N
MW236.32 g/mol
LogP4.19
Rot. Bonds4

About N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline

N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline (PubChem CID 6256661) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
PubChem CID6256661
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
SMILESCC(/C=C/c1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C16H16N2/c1-14(12-13-15-8-4-2-5-9-15)17-18-16-10-6-3-7-11-16/h2-13,18H,1H3/b13-12+,17-14-
InChIKeyZIKCEPRFGILSQT-SQCSQLHISA-N
XLogP4.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
N-[(E)-[(E)-4-(3-bromophenyl)but-3-en-2-ylidene]amino]aniline
CID 135079698
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
1-methyl-3-(4-phenylbut-3-en-2-ylideneamino)thiourea
CID 4989240
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
N-[(Z)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline (CID 6256661) is N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline is CC(/C=C/c1ccccc1)=N/Nc1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline?
The InChIKey is ZIKCEPRFGILSQT-SQCSQLHISA-N. The full InChI is InChI=1S/C16H16N2/c1-14(12-13-15-8-4-2-5-9-15)17-18-16-10-6-3-7-11-16/h2-13,18H,1H3/b13-12+,17-14-.
What are the key properties of N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline?
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline has a molecular weight of 236.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline is sourced from PubChem (CID 6256661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).