N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine

C16H12N2 — CID 10489748

IUPACN-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
SMILESCC#Cc1ccccc1N=C=Nc1ccccc1
InChIInChI=1S/C16H12N2/c1-2-8-14-9-6-7-12-16(14)18-13-17-15-10-4-3-5-11-15/h3-7,9-12H,1H3
InChIKeyVSWIXSLRSJPAGO-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.20
Rot. Bonds2

About N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine

N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine (PubChem CID 10489748) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine.

Molecular Properties

Compound NameN-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
PubChem CID10489748
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC NameN-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
SMILESCC#Cc1ccccc1N=C=Nc1ccccc1
InChIInChI=1S/C16H12N2/c1-2-8-14-9-6-7-12-16(14)18-13-17-15-10-4-3-5-11-15/h3-7,9-12H,1H3
InChIKeyVSWIXSLRSJPAGO-UHFFFAOYSA-N
XLogP4.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine?
The IUPAC name of N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine (CID 10489748) is N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine.
What is the SMILES notation for N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine?
The canonical SMILES for N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine is CC#Cc1ccccc1N=C=Nc1ccccc1.
What is the InChIKey of N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine?
The InChIKey is VSWIXSLRSJPAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-8-14-9-6-7-12-16(14)18-13-17-15-10-4-3-5-11-15/h3-7,9-12H,1H3.
What are the key properties of N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine?
N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine has a molecular weight of 232.29 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine is sourced from PubChem (CID 10489748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).