N,1-diphenylbut-3-en-1-imine

C16H15N — CID 12676193

IUPACN,1-diphenylbut-3-en-1-imine
SMILESC=CC/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N/c1-2-9-16(14-10-5-3-6-11-14)17-15-12-7-4-8-13-15/h2-8,10-13H,1,9H2/b17-16+
InChIKeyDUYJBQMXXGHUDA-WUKNDPDISA-N
MW221.30 g/mol
LogP4.38
Rot. Bonds4

About N,1-diphenylbut-3-en-1-imine

N,1-diphenylbut-3-en-1-imine (PubChem CID 12676193) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is N,1-diphenylbut-3-en-1-imine.

Molecular Properties

Compound NameN,1-diphenylbut-3-en-1-imine
PubChem CID12676193
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC NameN,1-diphenylbut-3-en-1-imine
SMILESC=CC/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N/c1-2-9-16(14-10-5-3-6-11-14)17-15-12-7-4-8-13-15/h2-8,10-13H,1,9H2/b17-16+
InChIKeyDUYJBQMXXGHUDA-WUKNDPDISA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hydroperoxy-1-phenylbut-3-en-1-imine
CID 87907141
2-phenyl-2-phenyliminoethanamine
CID 118895747
1-phenylbut-3-ene-1-thione
CID 23072627
1,1,3-triphenyl-3-phenyliminopropan-1-ol
CID 20870790
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
magnesium;1-phenylbut-3-enylideneazanide;chloride
CID 10013141
N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
CID 174634496
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
N-phenylprop-2-enimidoyl chloride
CID 15040268
(NZ)-N-(1-naphthalen-2-ylbut-3-enylidene)hydroxylamine
CID 101486350
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
CID 125477290

Frequently Asked Questions

What is the IUPAC name of N,1-diphenylbut-3-en-1-imine?
The IUPAC name of N,1-diphenylbut-3-en-1-imine (CID 12676193) is N,1-diphenylbut-3-en-1-imine.
What is the SMILES notation for N,1-diphenylbut-3-en-1-imine?
The canonical SMILES for N,1-diphenylbut-3-en-1-imine is C=CC/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of N,1-diphenylbut-3-en-1-imine?
The InChIKey is DUYJBQMXXGHUDA-WUKNDPDISA-N. The full InChI is InChI=1S/C16H15N/c1-2-9-16(14-10-5-3-6-11-14)17-15-12-7-4-8-13-15/h2-8,10-13H,1,9H2/b17-16+.
What are the key properties of N,1-diphenylbut-3-en-1-imine?
N,1-diphenylbut-3-en-1-imine has a molecular weight of 221.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenylbut-3-en-1-imine is sourced from PubChem (CID 12676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).