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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Related Compounds

N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine
CID 88599363
N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine
CID 51341652
carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
CID 45049466
1-isocyanato-4-[1-(4-isocyanato-3-methylphenyl)ethyl]-2-methylbenzene
CID 87355583
4-iodo-1-isothiocyanato-2-methylbenzene
CID 19025388
2-[bis(2-isocyanato-5-methylphenyl)methyl]-1-isocyanato-4-methylbenzene
CID 152615492
N-(2,4-dimethylphenyl)cyclohexanimine
CID 11252658
1,2,4-trimethylbenzene
CID 7247
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
(4-isocyanato-3-methylphenyl)-(4-isocyanatophenyl)diazene
CID 20549137
5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde
CID 136794282

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).