8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine

C17H22N2O — CID 64746086

IUPAC8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine
SMILESCC1CCC(Oc2ccc(N)c3cccnc23)CC1C
InChIInChI=1S/C17H22N2O/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13H,5-6,10,18H2,1-2H3
InChIKeyDNUUEQJLRLSCHU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.02
Rot. Bonds2

About 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine

8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine (PubChem CID 64746086) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine.

Molecular Properties

Compound Name8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine
PubChem CID64746086
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine
SMILESCC1CCC(Oc2ccc(N)c3cccnc23)CC1C
InChIInChI=1S/C17H22N2O/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13H,5-6,10,18H2,1-2H3
InChIKeyDNUUEQJLRLSCHU-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.02
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 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine?
The IUPAC name of 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine (CID 64746086) is 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine.
What is the SMILES notation for 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine?
The canonical SMILES for 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine is CC1CCC(Oc2ccc(N)c3cccnc23)CC1C.
What is the InChIKey of 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine?
The InChIKey is DNUUEQJLRLSCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-4,7-9,11-13H,5-6,10,18H2,1-2H3.
What are the key properties of 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine?
8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine has a molecular weight of 270.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine is sourced from PubChem (CID 64746086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).