N,N'-bis(2-methylphenyl)ethane-1,2-diimine

C16H16N2 — CID 576554

IUPACN,N'-bis(2-methylphenyl)ethane-1,2-diimine
SMILESCc1ccccc1/N=C/C=N/c1ccccc1C
InChIInChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b17-11+,18-12+
InChIKeyDNQDRIBUHNACIY-JYFOCSDGSA-N
MW236.32 g/mol
LogP4.41
Rot. Bonds3

About N,N'-bis(2-methylphenyl)ethane-1,2-diimine

N,N'-bis(2-methylphenyl)ethane-1,2-diimine (PubChem CID 576554) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)ethane-1,2-diimine
PubChem CID576554
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN,N'-bis(2-methylphenyl)ethane-1,2-diimine
SMILESCc1ccccc1/N=C/C=N/c1ccccc1C
InChIInChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b17-11+,18-12+
InChIKeyDNQDRIBUHNACIY-JYFOCSDGSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N'-bis(2-methylphenyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(2-methylphenyl)ethane-1,2-diimine (CID 576554) is N,N'-bis(2-methylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(2-methylphenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(2-methylphenyl)ethane-1,2-diimine is Cc1ccccc1/N=C/C=N/c1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)ethane-1,2-diimine?
The InChIKey is DNQDRIBUHNACIY-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b17-11+,18-12+.
What are the key properties of N,N'-bis(2-methylphenyl)ethane-1,2-diimine?
N,N'-bis(2-methylphenyl)ethane-1,2-diimine has a molecular weight of 236.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 576554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).