(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine

C20H21NO — CID 10979181

IUPAC(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine
SMILESC=CC(C)(C=C(c1ccccc1)c1ccccc1)/C=N/OC
InChIInChI=1S/C20H21NO/c1-4-20(2,16-21-22-3)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/b21-16+
InChIKeyQUPBYHBCDCRLIC-LTGZKZEYSA-N
MW291.39 g/mol
LogP4.94
Rot. Bonds6

About (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine

(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine (PubChem CID 10979181) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine
PubChem CID10979181
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine
SMILESC=CC(C)(C=C(c1ccccc1)c1ccccc1)/C=N/OC
InChIInChI=1S/C20H21NO/c1-4-20(2,16-21-22-3)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/b21-16+
InChIKeyQUPBYHBCDCRLIC-LTGZKZEYSA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
CID 11743387
[(E)-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]amino] acetate
CID 10412497
[(E)-(2,2-dimethyl-4,4-diphenylbut-3-enylidene)amino] benzoate
CID 15636099
2-methyl-4,4-diphenylbut-3-en-2-amine
CID 11118093
(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
2-methylbut-3-en-2-yl 2-oxo-2-phenylacetate
CID 10584906
(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
CID 124643608
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane
CID 21027985
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
CID 134993286
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine?
The IUPAC name of (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine (CID 10979181) is (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine.
What is the SMILES notation for (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine?
The canonical SMILES for (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine is C=CC(C)(C=C(c1ccccc1)c1ccccc1)/C=N/OC.
What is the InChIKey of (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine?
The InChIKey is QUPBYHBCDCRLIC-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H21NO/c1-4-20(2,16-21-22-3)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/b21-16+.
What are the key properties of (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine?
(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine has a molecular weight of 291.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine is sourced from PubChem (CID 10979181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).