N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide

C21H20N2 — CID 142293657

IUPACN'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/C(=C2/C=CC=CC2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)21(22)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-10,12-15H,11H2,1H3,(H2,22,23)/b20-18-
InChIKeyJJHUMKLLHJPDTQ-ZZEZOPTASA-N
MW300.41 g/mol
LogP4.63
Rot. Bonds3

About N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide

N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide (PubChem CID 142293657) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
PubChem CID142293657
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/C(=C2/C=CC=CC2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)21(22)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-10,12-15H,11H2,1H3,(H2,22,23)/b20-18-
InChIKeyJJHUMKLLHJPDTQ-ZZEZOPTASA-N
XLogP4.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
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

N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
CID 167256765
N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
CID 142324142
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide
CID 145284425
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764
N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
CID 145365910
[amino(phenyl)methylidene]carbamic acid
CID 54409873
N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
CID 174108934
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide?
The IUPAC name of N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide (CID 142293657) is N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/C(=C2/C=CC=CC2)c2ccccc2)cc1.
What is the InChIKey of N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide?
The InChIKey is JJHUMKLLHJPDTQ-ZZEZOPTASA-N. The full InChI is InChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)21(22)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-10,12-15H,11H2,1H3,(H2,22,23)/b20-18-.
What are the key properties of N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide?
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide has a molecular weight of 300.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 142293657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).