2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine

C15H24N2 — CID 115550239

IUPAC2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
SMILESCCC1CCCCC1Nc1c(C)cccc1N
InChIInChI=1S/C15H24N2/c1-3-12-8-4-5-10-14(12)17-15-11(2)7-6-9-13(15)16/h6-7,9,12,14,17H,3-5,8,10,16H2,1-2H3
InChIKeyWFFLFIWQLXEWHU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.96
Rot. Bonds3

About 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine

2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550239) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
PubChem CID115550239
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
SMILESCCC1CCCCC1Nc1c(C)cccc1N
InChIInChI=1S/C15H24N2/c1-3-12-8-4-5-10-14(12)17-15-11(2)7-6-9-13(15)16/h6-7,9,12,14,17H,3-5,8,10,16H2,1-2H3
InChIKeyWFFLFIWQLXEWHU-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273
2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
CID 115550610
2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 113333774
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
CID 107597952
ethyl 2-amino-3-[(2-ethylcyclohexyl)amino]benzoate
CID 115545224
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
CID 112727442
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine (CID 115550239) is 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine is CCC1CCCCC1Nc1c(C)cccc1N.
What is the InChIKey of 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The InChIKey is WFFLFIWQLXEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12-8-4-5-10-14(12)17-15-11(2)7-6-9-13(15)16/h6-7,9,12,14,17H,3-5,8,10,16H2,1-2H3.
What are the key properties of 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine?
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).