2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine

C15H24N2 — CID 113333774

IUPAC2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCC(C)CC1C
InChIInChI=1S/C15H24N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-6,10,12,14,17H,7-9,16H2,1-3H3
InChIKeyLBWGYPTYWZEUEA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.81
Rot. Bonds2

About 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine

2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine (PubChem CID 113333774) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
PubChem CID113333774
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCC(C)CC1C
InChIInChI=1S/C15H24N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-6,10,12,14,17H,7-9,16H2,1-3H3
InChIKeyLBWGYPTYWZEUEA-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.81
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
3-amino-2-[(2,4-dimethylcyclohexyl)amino]benzoic acid
CID 112579046
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
CID 63995449
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
3-chloro-1-N-(2,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 113458644
N-(2,4-dimethylcyclohexyl)-6-hydrazinylpyridin-2-amine
CID 80911809
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265356
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine (CID 113333774) is 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC1CCC(C)CC1C.
What is the InChIKey of 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine?
The InChIKey is LBWGYPTYWZEUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-6,10,12,14,17H,7-9,16H2,1-3H3.
What are the key properties of 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine?
2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 113333774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).