N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine

C15H18N2 — CID 167672551

IUPACN-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(C=Nc2ccc(C)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2/c1-10-7-11(2)14(12(3)8-10)9-16-15-6-5-13(4)17-15/h5-9,17H,1-4H3
InChIKeyZLWWNEFQAINXBL-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.00
Rot. Bonds2

About N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine

N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine (PubChem CID 167672551) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine
PubChem CID167672551
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(C=Nc2ccc(C)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2/c1-10-7-11(2)14(12(3)8-10)9-16-15-6-5-13(4)17-15/h5-9,17H,1-4H3
InChIKeyZLWWNEFQAINXBL-UHFFFAOYSA-N
XLogP4.00
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
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-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine (CID 167672551) is N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(C=Nc2ccc(C)[nH]2)c(C)c1.
What is the InChIKey of N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is ZLWWNEFQAINXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-7-11(2)14(12(3)8-10)9-16-15-6-5-13(4)17-15/h5-9,17H,1-4H3.
What are the key properties of N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine?
N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 226.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 167672551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).