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

C16H23N — CID 19962550

IUPACN-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine
SMILESCCC1CCC(=Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H23N/c1-4-14-6-8-15(9-7-14)17-16-10-5-12(2)11-13(16)3/h5,10-11,14H,4,6-9H2,1-3H3/b17-15-
InChIKeyFMMNQYVWOZTXDS-ICFOKQHNSA-N
MW229.37 g/mol
LogP4.98
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine (PubChem CID 19962550) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine
PubChem CID19962550
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine
SMILESCCC1CCC(=Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H23N/c1-4-14-6-8-15(9-7-14)17-16-10-5-12(2)11-13(16)3/h5,10-11,14H,4,6-9H2,1-3H3/b17-15-
InChIKeyFMMNQYVWOZTXDS-ICFOKQHNSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.98
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-ethylcyclohexan-1-imine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine (CID 19962550) is N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine is CCC1CCC(=Nc2ccc(C)cc2C)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine?
The InChIKey is FMMNQYVWOZTXDS-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H23N/c1-4-14-6-8-15(9-7-14)17-16-10-5-12(2)11-13(16)3/h5,10-11,14H,4,6-9H2,1-3H3/b17-15-.
What are the key properties of N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine?
N-(2,4-dimethylphenyl)-4-ethylcyclohexan-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.98, 2 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-ethylcyclohexan-1-imine is sourced from PubChem (CID 19962550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).