5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine

C18H24N2O — CID 102713907

IUPAC5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
SMILESCc1cc2c(OC3CCC(C)(C)CC3)ccc(N)c2cn1
InChIInChI=1S/C18H24N2O/c1-12-10-14-15(11-20-12)16(19)4-5-17(14)21-13-6-8-18(2,3)9-7-13/h4-5,10-11,13H,6-9,19H2,1-3H3
InChIKeyCKFITFUHLMEJNC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.47
Rot. Bonds2

About 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine

5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine (PubChem CID 102713907) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
PubChem CID102713907
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
SMILESCc1cc2c(OC3CCC(C)(C)CC3)ccc(N)c2cn1
InChIInChI=1S/C18H24N2O/c1-12-10-14-15(11-20-12)16(19)4-5-17(14)21-13-6-8-18(2,3)9-7-13/h4-5,10-11,13H,6-9,19H2,1-3H3
InChIKeyCKFITFUHLMEJNC-UHFFFAOYSA-N
XLogP4.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
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
Benzaldehyde, 4-methoxy-, (6-methoxy-4-quinolinyl)hydrazone
CID 24810637
3,7,8,9-Tetrahydro-3-methylpyrano(3,2-e)indole-1-ethanamine
CID 132564
Dimethyl-[2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethyl]-amine
CID 10244251
1-(2-Dimethylaminoethyl)dihydropyrano(3,2-e)indole
CID 15011385

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine (CID 102713907) is 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine is Cc1cc2c(OC3CCC(C)(C)CC3)ccc(N)c2cn1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine?
The InChIKey is CKFITFUHLMEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-10-14-15(11-20-12)16(19)4-5-17(14)21-13-6-8-18(2,3)9-7-13/h4-5,10-11,13H,6-9,19H2,1-3H3.
What are the key properties of 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine?
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine has a molecular weight of 284.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).