N-(2-ethenyl-4,5-dimethylphenyl)methanimine

C11H13N — CID 177137027

IUPACN-(2-ethenyl-4,5-dimethylphenyl)methanimine
SMILESC=Cc1cc(C)c(C)cc1N=C
InChIInChI=1S/C11H13N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h5-7H,1,4H2,2-3H3
InChIKeySSUNXJCVKCRFKD-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.28
Rot. Bonds2

About N-(2-ethenyl-4,5-dimethylphenyl)methanimine

N-(2-ethenyl-4,5-dimethylphenyl)methanimine (PubChem CID 177137027) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-ethenyl-4,5-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-4,5-dimethylphenyl)methanimine
PubChem CID177137027
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-(2-ethenyl-4,5-dimethylphenyl)methanimine
SMILESC=Cc1cc(C)c(C)cc1N=C
InChIInChI=1S/C11H13N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h5-7H,1,4H2,2-3H3
InChIKeySSUNXJCVKCRFKD-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine
CID 169264096
N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine
CID 168882925
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde
CID 143133373
N-(4-ethenyl-6-ethyl-3-pyridinyl)methanimine
CID 145293598
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
CID 166455325
ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine
CID 153352479
2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
N-(4,5-difluoro-2-methylphenyl)methanimine
CID 123475442
1-ethenyl-2,4-dimethylbenzene
CID 157285903

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-4,5-dimethylphenyl)methanimine?
The IUPAC name of N-(2-ethenyl-4,5-dimethylphenyl)methanimine (CID 177137027) is N-(2-ethenyl-4,5-dimethylphenyl)methanimine.
What is the SMILES notation for N-(2-ethenyl-4,5-dimethylphenyl)methanimine?
The canonical SMILES for N-(2-ethenyl-4,5-dimethylphenyl)methanimine is C=Cc1cc(C)c(C)cc1N=C.
What is the InChIKey of N-(2-ethenyl-4,5-dimethylphenyl)methanimine?
The InChIKey is SSUNXJCVKCRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h5-7H,1,4H2,2-3H3.
What are the key properties of N-(2-ethenyl-4,5-dimethylphenyl)methanimine?
N-(2-ethenyl-4,5-dimethylphenyl)methanimine has a molecular weight of 159.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-4,5-dimethylphenyl)methanimine is sourced from PubChem (CID 177137027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).