N,1,4-triphenylazetidin-2-imine

C21H18N2 — CID 126702627

IUPACN,1,4-triphenylazetidin-2-imine
SMILESc1ccc(/N=C2\CC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-15,20H,16H2/b22-21+
InChIKeyPBTLGNOSLYSHDI-QURGRASLSA-N
MW298.39 g/mol
LogP5.37
Rot. Bonds3

About N,1,4-triphenylazetidin-2-imine

N,1,4-triphenylazetidin-2-imine (PubChem CID 126702627) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,1,4-triphenylazetidin-2-imine.

Molecular Properties

Compound NameN,1,4-triphenylazetidin-2-imine
PubChem CID126702627
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC NameN,1,4-triphenylazetidin-2-imine
SMILESc1ccc(/N=C2\CC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-15,20H,16H2/b22-21+
InChIKeyPBTLGNOSLYSHDI-QURGRASLSA-N
XLogP5.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,4-triphenylazetidin-2-imine?
The IUPAC name of N,1,4-triphenylazetidin-2-imine (CID 126702627) is N,1,4-triphenylazetidin-2-imine.
What is the SMILES notation for N,1,4-triphenylazetidin-2-imine?
The canonical SMILES for N,1,4-triphenylazetidin-2-imine is c1ccc(/N=C2\CC(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of N,1,4-triphenylazetidin-2-imine?
The InChIKey is PBTLGNOSLYSHDI-QURGRASLSA-N. The full InChI is InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-15,20H,16H2/b22-21+.
What are the key properties of N,1,4-triphenylazetidin-2-imine?
N,1,4-triphenylazetidin-2-imine has a molecular weight of 298.39 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4-triphenylazetidin-2-imine is sourced from PubChem (CID 126702627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).