(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine

C22H16N2 — CID 6861471

IUPAC(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cccc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+
InChIKeyQBEFRSDYCFCLQT-DFEHQXHXSA-N
MW308.38 g/mol
LogP5.45
Rot. Bonds3

About (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine

(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine (PubChem CID 6861471) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine
PubChem CID6861471
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cccc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+
InChIKeyQBEFRSDYCFCLQT-DFEHQXHXSA-N
XLogP5.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine (CID 6861471) is (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine is C(=N/N=C/c1cccc2ccccc12)\c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine?
The InChIKey is QBEFRSDYCFCLQT-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+.
What are the key properties of (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine?
(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine has a molecular weight of 308.38 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine is sourced from PubChem (CID 6861471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).