N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine

C12H16N2 — CID 158127394

IUPACN-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine
SMILESCc1ccc(N=C=NC(C)C)c(C)c1
InChIInChI=1S/C12H16N2/c1-9(2)13-8-14-12-6-5-10(3)7-11(12)4/h5-7,9H,1-4H3
InChIKeyMLTHTRIAGDDZIZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.52
Rot. Bonds2

About N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine

N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine (PubChem CID 158127394) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine
PubChem CID158127394
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine
SMILESCc1ccc(N=C=NC(C)C)c(C)c1
InChIInChI=1S/C12H16N2/c1-9(2)13-8-14-12-6-5-10(3)7-11(12)4/h5-7,9H,1-4H3
InChIKeyMLTHTRIAGDDZIZ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine (CID 158127394) is N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine is Cc1ccc(N=C=NC(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine?
The InChIKey is MLTHTRIAGDDZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)13-8-14-12-6-5-10(3)7-11(12)4/h5-7,9H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine?
N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine has a molecular weight of 188.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine is sourced from PubChem (CID 158127394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).