4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine

C14H22N2O — CID 106748575

IUPAC4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine
SMILESCC1(C)CCC(Oc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-5-10(6-8-14)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,15-16H2,1-2H3
InChIKeyKQOCEWMERIQMIF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.20
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine

4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine (PubChem CID 106748575) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine
PubChem CID106748575
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine
SMILESCC1(C)CCC(Oc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-5-10(6-8-14)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,15-16H2,1-2H3
InChIKeyKQOCEWMERIQMIF-UHFFFAOYSA-N
XLogP3.20
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
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 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine (CID 106748575) is 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine is CC1(C)CCC(Oc2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine?
The InChIKey is KQOCEWMERIQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)7-5-10(6-8-14)17-11-3-4-12(15)13(16)9-11/h3-4,9-10H,5-8,15-16H2,1-2H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine?
4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine is sourced from PubChem (CID 106748575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).