1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine

C20H23N — CID 139541351

IUPAC1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine
SMILESCC/C=C(C)/N=C/c1cc(-c2ccccc2C)ccc1C
InChIInChI=1S/C20H23N/c1-5-8-17(4)21-14-19-13-18(12-11-15(19)2)20-10-7-6-9-16(20)3/h6-14H,5H2,1-4H3/b17-8+,21-14+
InChIKeyYUBSMGMMIPNWBZ-HRYSNNGLSA-N
MW277.41 g/mol
LogP5.70
Rot. Bonds4

About 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine

1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine (PubChem CID 139541351) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine.

Molecular Properties

Compound Name1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine
PubChem CID139541351
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine
SMILESCC/C=C(C)/N=C/c1cc(-c2ccccc2C)ccc1C
InChIInChI=1S/C20H23N/c1-5-8-17(4)21-14-19-13-18(12-11-15(19)2)20-10-7-6-9-16(20)3/h6-14H,5H2,1-4H3/b17-8+,21-14+
InChIKeyYUBSMGMMIPNWBZ-HRYSNNGLSA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.70
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 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine?
The IUPAC name of 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine (CID 139541351) is 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine.
What is the SMILES notation for 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine?
The canonical SMILES for 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine is CC/C=C(C)/N=C/c1cc(-c2ccccc2C)ccc1C.
What is the InChIKey of 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine?
The InChIKey is YUBSMGMMIPNWBZ-HRYSNNGLSA-N. The full InChI is InChI=1S/C20H23N/c1-5-8-17(4)21-14-19-13-18(12-11-15(19)2)20-10-7-6-9-16(20)3/h6-14H,5H2,1-4H3/b17-8+,21-14+.
What are the key properties of 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine?
1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine has a molecular weight of 277.41 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine is sourced from PubChem (CID 139541351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).