N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine

C12H16N2 — CID 15505867

IUPACN-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine
SMILESC=Nc1c(C)c(C)c(N=C)c(C)c1C
InChIInChI=1S/C12H16N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h5-6H2,1-4H3
InChIKeyJAEJXLBAQVUGCF-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.58
Rot. Bonds2

About N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine

N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine (PubChem CID 15505867) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine.

Molecular Properties

Compound NameN-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine
PubChem CID15505867
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine
SMILESC=Nc1c(C)c(C)c(N=C)c(C)c1C
InChIInChI=1S/C12H16N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h5-6H2,1-4H3
InChIKeyJAEJXLBAQVUGCF-UHFFFAOYSA-N
XLogP3.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine?
The IUPAC name of N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine (CID 15505867) is N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine.
What is the SMILES notation for N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine?
The canonical SMILES for N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine is C=Nc1c(C)c(C)c(N=C)c(C)c1C.
What is the InChIKey of N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine?
The InChIKey is JAEJXLBAQVUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h5-6H2,1-4H3.
What are the key properties of N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine?
N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine has a molecular weight of 188.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,5,6-tetramethyl-4-(methylideneamino)phenyl]methanimine is sourced from PubChem (CID 15505867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).