N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide

C25H26N2 — CID 166096417

IUPACN'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide
SMILESC=C(/N=C(C)/N=C(\CC)c1ccccc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C25H26N2/c1-4-25(24-13-9-6-10-14-24)27-20(3)26-19(2)21-15-17-23(18-16-21)22-11-7-5-8-12-22/h6-7,9-18H,2,4-5,8H2,1,3H3/b26-20+,27-25+
InChIKeyWZRVJTIGTYVIJS-IGWYZIOSSA-N
MW354.50 g/mol
LogP6.71
Rot. Bonds5

About N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide

N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide (PubChem CID 166096417) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide.

Molecular Properties

Compound NameN'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide
PubChem CID166096417
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide
SMILESC=C(/N=C(C)/N=C(\CC)c1ccccc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C25H26N2/c1-4-25(24-13-9-6-10-14-24)27-20(3)26-19(2)21-15-17-23(18-16-21)22-11-7-5-8-12-22/h6-7,9-18H,2,4-5,8H2,1,3H3/b26-20+,27-25+
InChIKeyWZRVJTIGTYVIJS-IGWYZIOSSA-N
XLogP6.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 145265295
N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 146384821
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-methyl-4-(4-phenylphenyl)butan-1-one
CID 143289917
1-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-sulfanylethanone
CID 145041616
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene
CID 145264939
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide?
The IUPAC name of N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide (CID 166096417) is N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide.
What is the SMILES notation for N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide?
The canonical SMILES for N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide is C=C(/N=C(C)/N=C(\CC)c1ccccc1)c1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide?
The InChIKey is WZRVJTIGTYVIJS-IGWYZIOSSA-N. The full InChI is InChI=1S/C25H26N2/c1-4-25(24-13-9-6-10-14-24)27-20(3)26-19(2)21-15-17-23(18-16-21)22-11-7-5-8-12-22/h6-7,9-18H,2,4-5,8H2,1,3H3/b26-20+,27-25+.
What are the key properties of N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide?
N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide has a molecular weight of 354.50 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-cyclohexa-1,5-dien-1-ylphenyl)ethenyl]-N-(1-phenylpropylidene)ethanimidamide is sourced from PubChem (CID 166096417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).