N-(2,3,4,5,6-pentamethylphenyl)ethanimine

C13H19N — CID 600057

IUPACN-(2,3,4,5,6-pentamethylphenyl)ethanimine
SMILESC/C=N/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-7-14-13-11(5)9(3)8(2)10(4)12(13)6/h7H,1-6H3/b14-7+
InChIKeyOXTZHZRGEFGAIX-VGOFMYFVSA-N
MW189.30 g/mol
LogP3.95
Rot. Bonds1

About N-(2,3,4,5,6-pentamethylphenyl)ethanimine

N-(2,3,4,5,6-pentamethylphenyl)ethanimine (PubChem CID 600057) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentamethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentamethylphenyl)ethanimine
PubChem CID600057
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(2,3,4,5,6-pentamethylphenyl)ethanimine
SMILESC/C=N/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-7-14-13-11(5)9(3)8(2)10(4)12(13)6/h7H,1-6H3/b14-7+
InChIKeyOXTZHZRGEFGAIX-VGOFMYFVSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.95
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

CID 596025
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CID 17799630
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CID 86021576
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CID 89887639
CID 89887639
CID 118068085
CID 118068085
CID 167080179
CID 167080179
CID 172349078
CID 172349078
CID 172349788
CID 172349788
CID 139249930
CID 139249930
CID 172348500
CID 172348500
CID 12844902
CID 12844902
CID 15505867
CID 15505867

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)ethanimine (CID 600057) is N-(2,3,4,5,6-pentamethylphenyl)ethanimine.
What is the SMILES notation for N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The canonical SMILES for N-(2,3,4,5,6-pentamethylphenyl)ethanimine is C/C=N/c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The InChIKey is OXTZHZRGEFGAIX-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H19N/c1-7-14-13-11(5)9(3)8(2)10(4)12(13)6/h7H,1-6H3/b14-7+.
What are the key properties of N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
N-(2,3,4,5,6-pentamethylphenyl)ethanimine has a molecular weight of 189.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentamethylphenyl)ethanimine is sourced from PubChem (CID 600057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).