2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine

C14H17N — CID 12789626

IUPAC2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine
SMILESC=CC(C)=C=Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H17N/c1-6-10(2)9-15-14-12(4)7-11(3)8-13(14)5/h6-8H,1H2,2-5H3
InChIKeyCUWDTDXVPFRYLI-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.05
Rot. Bonds2

About 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine

2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine (PubChem CID 12789626) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine
PubChem CID12789626
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine
SMILESC=CC(C)=C=Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H17N/c1-6-10(2)9-15-14-12(4)7-11(3)8-13(14)5/h6-8H,1H2,2-5H3
InChIKeyCUWDTDXVPFRYLI-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine?
The IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine (CID 12789626) is 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine.
What is the SMILES notation for 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine?
The canonical SMILES for 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine is C=CC(C)=C=Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine?
The InChIKey is CUWDTDXVPFRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-6-10(2)9-15-14-12(4)7-11(3)8-13(14)5/h6-8H,1H2,2-5H3.
What are the key properties of 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine?
2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine has a molecular weight of 199.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine is sourced from PubChem (CID 12789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).