(E)-N,4-diphenylbut-3-en-2-imine

C16H15N — CID 5382915

IUPAC(E)-N,4-diphenylbut-3-en-2-imine
SMILESCC(/C=C/c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C16H15N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,17-14+
InChIKeySWZIFMPZYZSWMD-MIFVOYFBSA-N
MW221.30 g/mol
LogP4.49
Rot. Bonds3

About (E)-N,4-diphenylbut-3-en-2-imine

(E)-N,4-diphenylbut-3-en-2-imine (PubChem CID 5382915) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-N,4-diphenylbut-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,4-diphenylbut-3-en-2-imine
PubChem CID5382915
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name(E)-N,4-diphenylbut-3-en-2-imine
SMILESCC(/C=C/c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C16H15N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,17-14+
InChIKeySWZIFMPZYZSWMD-MIFVOYFBSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
CID 11111198
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
CID 146321202
(E)-4-phenyl-2-phenyliminobut-3-enoic acid
CID 24975123
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-diphenylbut-3-en-2-imine?
The IUPAC name of (E)-N,4-diphenylbut-3-en-2-imine (CID 5382915) is (E)-N,4-diphenylbut-3-en-2-imine.
What is the SMILES notation for (E)-N,4-diphenylbut-3-en-2-imine?
The canonical SMILES for (E)-N,4-diphenylbut-3-en-2-imine is CC(/C=C/c1ccccc1)=N\c1ccccc1.
What is the InChIKey of (E)-N,4-diphenylbut-3-en-2-imine?
The InChIKey is SWZIFMPZYZSWMD-MIFVOYFBSA-N. The full InChI is InChI=1S/C16H15N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,17-14+.
What are the key properties of (E)-N,4-diphenylbut-3-en-2-imine?
(E)-N,4-diphenylbut-3-en-2-imine has a molecular weight of 221.30 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-diphenylbut-3-en-2-imine is sourced from PubChem (CID 5382915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).