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

C15H24N2 — CID 79861808

IUPAC1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCCCC1(C)C
InChIInChI=1S/C15H24N2/c1-11-10-12(16)7-8-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9,16H2,1-3H3
InChIKeyMHQZQQJIIACCRB-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.96
Rot. Bonds2

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

1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine (PubChem CID 79861808) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
PubChem CID79861808
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCCCC1(C)C
InChIInChI=1S/C15H24N2/c1-11-10-12(16)7-8-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9,16H2,1-3H3
InChIKeyMHQZQQJIIACCRB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine (CID 79861808) is 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1NC1CCCCC1(C)C.
What is the InChIKey of 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine?
The InChIKey is MHQZQQJIIACCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-10-12(16)7-8-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9,16H2,1-3H3.
What are the key properties of 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine?
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 79861808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).