3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine

C17H22N2O — CID 102713792

IUPAC3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
SMILESCc1cc2c(OC3CCCCC3C)ccc(N)c2cn1
InChIInChI=1S/C17H22N2O/c1-11-5-3-4-6-16(11)20-17-8-7-15(18)14-10-19-12(2)9-13(14)17/h7-11,16H,3-6,18H2,1-2H3
InChIKeyBIZNJOACYOJMFA-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.08
Rot. Bonds2

About 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine

3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine (PubChem CID 102713792) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
PubChem CID102713792
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
SMILESCc1cc2c(OC3CCCCC3C)ccc(N)c2cn1
InChIInChI=1S/C17H22N2O/c1-11-5-3-4-6-16(11)20-17-8-7-15(18)14-10-19-12(2)9-13(14)17/h7-11,16H,3-6,18H2,1-2H3
InChIKeyBIZNJOACYOJMFA-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxyquinoline
CID 14860
AL-37350A
CID 10331436
2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 10353268
6-Methoxy-4-methylquinoline
CID 258761
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 9856041
1-Methyl-2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 10131066
(R)-1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 11020695
US10155760, Example 74
CID 91938067
Quinoline, 4-(2,5-dimethoxystyryl)-
CID 5929717

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine?
The IUPAC name of 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine (CID 102713792) is 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine.
What is the SMILES notation for 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine?
The canonical SMILES for 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine is Cc1cc2c(OC3CCCCC3C)ccc(N)c2cn1.
What is the InChIKey of 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine?
The InChIKey is BIZNJOACYOJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-5-3-4-6-16(11)20-17-8-7-15(18)14-10-19-12(2)9-13(14)17/h7-11,16H,3-6,18H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine?
3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine has a molecular weight of 270.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine is sourced from PubChem (CID 102713792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).