5-cyclohexyloxyisoquinolin-8-amine

C15H18N2O — CID 43382765

IUPAC5-cyclohexyloxyisoquinolin-8-amine
SMILESNc1ccc(OC2CCCCC2)c2ccncc12
InChIInChI=1S/C15H18N2O/c16-14-6-7-15(12-8-9-17-10-13(12)14)18-11-4-2-1-3-5-11/h6-11H,1-5,16H2
InChIKeyPVEPBIZSPYMSLT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.53
Rot. Bonds2

About 5-cyclohexyloxyisoquinolin-8-amine

5-cyclohexyloxyisoquinolin-8-amine (PubChem CID 43382765) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-cyclohexyloxyisoquinolin-8-amine.

Molecular Properties

Compound Name5-cyclohexyloxyisoquinolin-8-amine
PubChem CID43382765
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-cyclohexyloxyisoquinolin-8-amine
SMILESNc1ccc(OC2CCCCC2)c2ccncc12
InChIInChI=1S/C15H18N2O/c16-14-6-7-15(12-8-9-17-10-13(12)14)18-11-4-2-1-3-5-11/h6-11H,1-5,16H2
InChIKeyPVEPBIZSPYMSLT-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.53
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
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
3,7,8,9-Tetrahydro-3-methylpyrano(3,2-e)indole-1-ethanamine
CID 132564
1-(2-Dimethylaminoethyl)dihydropyrano(3,2-e)indole
CID 15011385
4-Amino-6-methoxyquinoline
CID 223614
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136
N-(4-methoxyphenyl)quinolin-4-amine
CID 739629
7-Piperidin-4-yloxyisoquinoline
CID 42618152
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxyisoquinolin-8-amine?
The IUPAC name of 5-cyclohexyloxyisoquinolin-8-amine (CID 43382765) is 5-cyclohexyloxyisoquinolin-8-amine.
What is the SMILES notation for 5-cyclohexyloxyisoquinolin-8-amine?
The canonical SMILES for 5-cyclohexyloxyisoquinolin-8-amine is Nc1ccc(OC2CCCCC2)c2ccncc12.
What is the InChIKey of 5-cyclohexyloxyisoquinolin-8-amine?
The InChIKey is PVEPBIZSPYMSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-14-6-7-15(12-8-9-17-10-13(12)14)18-11-4-2-1-3-5-11/h6-11H,1-5,16H2.
What are the key properties of 5-cyclohexyloxyisoquinolin-8-amine?
5-cyclohexyloxyisoquinolin-8-amine has a molecular weight of 242.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxyisoquinolin-8-amine is sourced from PubChem (CID 43382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).