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

C15H15N — CID 145442127

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
SMILESC/C=N/C(=C1/C=CC=CC1)c1ccccc1
InChIInChI=1S/C15H15N/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-11H,12H2,1H3/b15-14-,16-2+
InChIKeyGVLLXBQUKGXNHO-CDJXTDMUSA-N
MW209.29 g/mol
LogP4.00
Rot. Bonds2

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

N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine (PubChem CID 145442127) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
PubChem CID145442127
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
SMILESC/C=N/C(=C1/C=CC=CC1)c1ccccc1
InChIInChI=1S/C15H15N/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-11H,12H2,1H3/b15-14-,16-2+
InChIKeyGVLLXBQUKGXNHO-CDJXTDMUSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.00
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

N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
CID 142324142
2-[(1E,2Z)-1-cyclohexa-2,4-dien-1-ylidene-3-ethenyl-2-methyl-4-phenylpenta-2,4-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143893858
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
CID 137161158
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
phenyl N-ethylidenecarbamate
CID 57026062
benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene
CID 91278691
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine (CID 145442127) is N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine is C/C=N/C(=C1/C=CC=CC1)c1ccccc1.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine?
The InChIKey is GVLLXBQUKGXNHO-CDJXTDMUSA-N. The full InChI is InChI=1S/C15H15N/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-11H,12H2,1H3/b15-14-,16-2+.
What are the key properties of N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine?
N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine has a molecular weight of 209.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 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]ethanimine is sourced from PubChem (CID 145442127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).