N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine

C13H19N — CID 13444994

IUPACN-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESC/N=C/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-8-9(2)11(4)13(7-14-6)12(5)10(8)3/h7H,1-6H3/b14-7+
InChIKeyQSQHPACWOMJAQC-VGOFMYFVSA-N
MW189.30 g/mol
LogP3.28
Rot. Bonds1

About N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine

N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (PubChem CID 13444994) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
PubChem CID13444994
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESC/N=C/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-8-9(2)11(4)13(7-14-6)12(5)10(8)3/h7H,1-6H3/b14-7+
InChIKeyQSQHPACWOMJAQC-VGOFMYFVSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The IUPAC name of N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (CID 13444994) is N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.
What is the SMILES notation for N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The canonical SMILES for N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is C/N=C/c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The InChIKey is QSQHPACWOMJAQC-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H19N/c1-8-9(2)11(4)13(7-14-6)12(5)10(8)3/h7H,1-6H3/b14-7+.
What are the key properties of N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine has a molecular weight of 189.30 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 N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is sourced from PubChem (CID 13444994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).