N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide

C24H32N2 — CID 144553644

IUPACN-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide
SMILESC=CN(/C(=N/C)c1ccccc1C(C)(C)CC)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H32N2/c1-9-24(6,7)21-14-12-11-13-20(21)23(25-8)26(10-2)22-18(4)15-17(3)16-19(22)5/h10-16H,2,9H2,1,3-8H3/b25-23+
InChIKeyMQTZMBGYHWFQSN-WJTDDFOZSA-N
MW348.53 g/mol
LogP6.33
Rot. Bonds5

About N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide

N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide (PubChem CID 144553644) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide
PubChem CID144553644
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide
SMILESC=CN(/C(=N/C)c1ccccc1C(C)(C)CC)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H32N2/c1-9-24(6,7)21-14-12-11-13-20(21)23(25-8)26(10-2)22-18(4)15-17(3)16-19(22)5/h10-16H,2,9H2,1,3-8H3/b25-23+
InChIKeyMQTZMBGYHWFQSN-WJTDDFOZSA-N
XLogP6.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide?
The IUPAC name of N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide (CID 144553644) is N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide?
The canonical SMILES for N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide is C=CN(/C(=N/C)c1ccccc1C(C)(C)CC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide?
The InChIKey is MQTZMBGYHWFQSN-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H32N2/c1-9-24(6,7)21-14-12-11-13-20(21)23(25-8)26(10-2)22-18(4)15-17(3)16-19(22)5/h10-16H,2,9H2,1,3-8H3/b25-23+.
What are the key properties of N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide?
N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide has a molecular weight of 348.53 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-2-(2-methylbutan-2-yl)-N-(2,4,6-trimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 144553644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).