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

C14H21N — CID 23252220

IUPACN-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCC/N=C/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21N/c1-7-15-8-14-12(5)10(3)9(2)11(4)13(14)6/h8H,7H2,1-6H3/b15-8+
InChIKeyDUVGNZMRAHUZFH-OVCLIPMQSA-N
MW203.33 g/mol
LogP3.67
Rot. Bonds2

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

N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (PubChem CID 23252220) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
PubChem CID23252220
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCC/N=C/c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21N/c1-7-15-8-14-12(5)10(3)9(2)11(4)13(14)6/h8H,7H2,1-6H3/b15-8+
InChIKeyDUVGNZMRAHUZFH-OVCLIPMQSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.67
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-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The IUPAC name of N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (CID 23252220) is N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.
What is the SMILES notation for N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The canonical SMILES for N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is CC/N=C/c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The InChIKey is DUVGNZMRAHUZFH-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H21N/c1-7-15-8-14-12(5)10(3)9(2)11(4)13(14)6/h8H,7H2,1-6H3/b15-8+.
What are the key properties of N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine has a molecular weight of 203.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is sourced from PubChem (CID 23252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).