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

C15H24N2 — CID 63995449

IUPAC3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NC1CCC(C)CC1C
InChIInChI=1S/C15H24N2/c1-10-7-8-14(11(2)9-10)17-15-6-4-5-13(16)12(15)3/h4-6,10-11,14,17H,7-9,16H2,1-3H3
InChIKeyXGNOJXATRCJCPH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.81
Rot. Bonds2

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

3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine (PubChem CID 63995449) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
PubChem CID63995449
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NC1CCC(C)CC1C
InChIInChI=1S/C15H24N2/c1-10-7-8-14(11(2)9-10)17-15-6-4-5-13(16)12(15)3/h4-6,10-11,14,17H,7-9,16H2,1-3H3
InChIKeyXGNOJXATRCJCPH-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Desipramine
CID 2995
Desipramine Hydrochloride
CID 65327
Dicarbine
CID 65684
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
2,N-Dimethylaniline
CID 69137
Benzenamine, N-ethyl-2-methyl-
CID 7201
Metapramine
CID 65700
2-Mepp
CID 91965
N-benzyl-4-methylaniline
CID 79403

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine (CID 63995449) is 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1NC1CCC(C)CC1C.
What is the InChIKey of 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine?
The InChIKey is XGNOJXATRCJCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-7-8-14(11(2)9-10)17-15-6-4-5-13(16)12(15)3/h4-6,10-11,14,17H,7-9,16H2,1-3H3.
What are the key properties of 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine?
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-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 3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63995449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).