N'-[4-(2-methylpropyl)phenyl]methanediimine

C11H14N2 — CID 142719405

IUPACN'-[4-(2-methylpropyl)phenyl]methanediimine
SMILESCC(C)Cc1ccc(N=C=N)cc1
InChIInChI=1S/C11H14N2/c1-9(2)7-10-3-5-11(6-4-10)13-8-12/h3-6,9,12H,7H2,1-2H3
InChIKeyDHJHMPVLYKVGMF-UHFFFAOYSA-N
MW174.25 g/mol
LogP3.27
Rot. Bonds3

About N'-[4-(2-methylpropyl)phenyl]methanediimine

N'-[4-(2-methylpropyl)phenyl]methanediimine (PubChem CID 142719405) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-[4-(2-methylpropyl)phenyl]methanediimine.

Molecular Properties

Compound NameN'-[4-(2-methylpropyl)phenyl]methanediimine
PubChem CID142719405
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN'-[4-(2-methylpropyl)phenyl]methanediimine
SMILESCC(C)Cc1ccc(N=C=N)cc1
InChIInChI=1S/C11H14N2/c1-9(2)7-10-3-5-11(6-4-10)13-8-12/h3-6,9,12H,7H2,1-2H3
InChIKeyDHJHMPVLYKVGMF-UHFFFAOYSA-N
XLogP3.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-(2-methylpropyl)phenyl]methanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
N'-[4-[4-(iminomethylideneamino)phenyl]phenyl]methanediimine
CID 15804369
1-(4-isothiocyanatophenyl)-4-methylpentan-2-amine
CID 137390617
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(2-methylpropyl)-4-(propan-2-ylsulfanylmethyl)benzene
CID 147950088
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
CID 5488589

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropyl)phenyl]methanediimine?
The IUPAC name of N'-[4-(2-methylpropyl)phenyl]methanediimine (CID 142719405) is N'-[4-(2-methylpropyl)phenyl]methanediimine.
What is the SMILES notation for N'-[4-(2-methylpropyl)phenyl]methanediimine?
The canonical SMILES for N'-[4-(2-methylpropyl)phenyl]methanediimine is CC(C)Cc1ccc(N=C=N)cc1.
What is the InChIKey of N'-[4-(2-methylpropyl)phenyl]methanediimine?
The InChIKey is DHJHMPVLYKVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(2)7-10-3-5-11(6-4-10)13-8-12/h3-6,9,12H,7H2,1-2H3.
What are the key properties of N'-[4-(2-methylpropyl)phenyl]methanediimine?
N'-[4-(2-methylpropyl)phenyl]methanediimine has a molecular weight of 174.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropyl)phenyl]methanediimine is sourced from PubChem (CID 142719405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).