2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine

C14H22N2O — CID 79589686

IUPAC2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c1-16(2)11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,3-7,15H2,1-2H3
InChIKeyLNEGAJBLYLMBOS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds3

About 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine

2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589686) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589686
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c1-16(2)11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,3-7,15H2,1-2H3
InChIKeyLNEGAJBLYLMBOS-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589686) is 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)c(OC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is LNEGAJBLYLMBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,3-7,15H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine?
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).