N-[(E)-but-1-enyl]-1,1-diphenylmethanimine

C17H17N — CID 135038127

IUPACN-[(E)-but-1-enyl]-1,1-diphenylmethanimine
SMILESCC/C=C/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,2H2,1H3/b14-3+
InChIKeyPQZUEICFNAQJEV-LZWSPWQCSA-N
MW235.33 g/mol
LogP4.45
Rot. Bonds4

About N-[(E)-but-1-enyl]-1,1-diphenylmethanimine

N-[(E)-but-1-enyl]-1,1-diphenylmethanimine (PubChem CID 135038127) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-1,1-diphenylmethanimine
PubChem CID135038127
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-[(E)-but-1-enyl]-1,1-diphenylmethanimine
SMILESCC/C=C/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,2H2,1H3/b14-3+
InChIKeyPQZUEICFNAQJEV-LZWSPWQCSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.45
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

[(Diphenylmethylene)amino]acetonitrile
CID 612957
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
1-Pyrroline, 3,3-diphenyl-2-ethyl-
CID 104403
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
N-(diphenylethenylidene)methanamine
CID 596917
Cyanamide, (diphenylmethylene)-
CID 677486
Acetophenone azine
CID 5484329

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(E)-but-1-enyl]-1,1-diphenylmethanimine (CID 135038127) is N-[(E)-but-1-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(E)-but-1-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(E)-but-1-enyl]-1,1-diphenylmethanimine is CC/C=C/N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-but-1-enyl]-1,1-diphenylmethanimine?
The InChIKey is PQZUEICFNAQJEV-LZWSPWQCSA-N. The full InChI is InChI=1S/C17H17N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-14H,2H2,1H3/b14-3+.
What are the key properties of N-[(E)-but-1-enyl]-1,1-diphenylmethanimine?
N-[(E)-but-1-enyl]-1,1-diphenylmethanimine has a molecular weight of 235.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 135038127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).