N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine

C15H21N — CID 19962542

IUPACN-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine
SMILESCc1ccc(N=C2CCC(C)CC2)c(C)c1
InChIInChI=1S/C15H21N/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h6,9-11H,4-5,7-8H2,1-3H3/b16-14-
InChIKeyXNOMIOOBMIFZKQ-PEZBUJJGSA-N
MW215.34 g/mol
LogP4.59
Rot. Bonds1

About N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine

N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine (PubChem CID 19962542) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine
PubChem CID19962542
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine
SMILESCc1ccc(N=C2CCC(C)CC2)c(C)c1
InChIInChI=1S/C15H21N/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h6,9-11H,4-5,7-8H2,1-3H3/b16-14-
InChIKeyXNOMIOOBMIFZKQ-PEZBUJJGSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.59
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-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine (CID 19962542) is N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine is Cc1ccc(N=C2CCC(C)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine?
The InChIKey is XNOMIOOBMIFZKQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H21N/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h6,9-11H,4-5,7-8H2,1-3H3/b16-14-.
What are the key properties of N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine?
N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-methylcyclohexan-1-imine is sourced from PubChem (CID 19962542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).