acetylene;N-(2,6-dimethylphenyl)ethanimine

C12H15N — CID 142169551

IUPACacetylene;N-(2,6-dimethylphenyl)ethanimine
SMILESC#C.C/C=N/c1c(C)cccc1C
InChIInChI=1S/C10H13N.C2H2/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1-3H3;1-2H/b11-4+;
InChIKeyXIICUZYUQMUXLA-SODSUQDMSA-N
MW173.26 g/mol
LogP3.28
Rot. Bonds1

About acetylene;N-(2,6-dimethylphenyl)ethanimine

acetylene;N-(2,6-dimethylphenyl)ethanimine (PubChem CID 142169551) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is acetylene;N-(2,6-dimethylphenyl)ethanimine.

Molecular Properties

Compound Nameacetylene;N-(2,6-dimethylphenyl)ethanimine
PubChem CID142169551
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Nameacetylene;N-(2,6-dimethylphenyl)ethanimine
SMILESC#C.C/C=N/c1c(C)cccc1C
InChIInChI=1S/C10H13N.C2H2/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1-3H3;1-2H/b11-4+;
InChIKeyXIICUZYUQMUXLA-SODSUQDMSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)ethanimine
CID 10993945
acetylene;butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1-methylnaphthalene
CID 143996006
butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
CID 143995996
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
CID 12818328
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal
CID 144523007
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
4-tert-butyl-N-[[2-(ethylideneamino)-3-methylphenyl]carbamothioyl]benzamide
CID 88874643
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
acetylene;1,2-xylene
CID 175515922
dichloroiron;N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701898

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(2,6-dimethylphenyl)ethanimine?
The IUPAC name of acetylene;N-(2,6-dimethylphenyl)ethanimine (CID 142169551) is acetylene;N-(2,6-dimethylphenyl)ethanimine.
What is the SMILES notation for acetylene;N-(2,6-dimethylphenyl)ethanimine?
The canonical SMILES for acetylene;N-(2,6-dimethylphenyl)ethanimine is C#C.C/C=N/c1c(C)cccc1C.
What is the InChIKey of acetylene;N-(2,6-dimethylphenyl)ethanimine?
The InChIKey is XIICUZYUQMUXLA-SODSUQDMSA-N. The full InChI is InChI=1S/C10H13N.C2H2/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1-3H3;1-2H/b11-4+;.
What are the key properties of acetylene;N-(2,6-dimethylphenyl)ethanimine?
acetylene;N-(2,6-dimethylphenyl)ethanimine has a molecular weight of 173.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(2,6-dimethylphenyl)ethanimine is sourced from PubChem (CID 142169551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).