5-octan-2-yloxyisoquinolin-8-amine

C17H24N2O — CID 43448927

IUPAC5-octan-2-yloxyisoquinolin-8-amine
SMILESCCCCCCC(C)Oc1ccc(N)c2cnccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)20-17-9-8-16(18)15-12-19-11-10-14(15)17/h8-13H,3-7,18H2,1-2H3
InChIKeyFKHWIMUWFXQXTH-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.55
Rot. Bonds7

About 5-octan-2-yloxyisoquinolin-8-amine

5-octan-2-yloxyisoquinolin-8-amine (PubChem CID 43448927) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-octan-2-yloxyisoquinolin-8-amine.

Molecular Properties

Compound Name5-octan-2-yloxyisoquinolin-8-amine
PubChem CID43448927
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-octan-2-yloxyisoquinolin-8-amine
SMILESCCCCCCC(C)Oc1ccc(N)c2cnccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)20-17-9-8-16(18)15-12-19-11-10-14(15)17/h8-13H,3-7,18H2,1-2H3
InChIKeyFKHWIMUWFXQXTH-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
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
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
Icr-174
CID 159669
4-Amino-6-methoxyquinoline
CID 223614

Frequently Asked Questions

What is the IUPAC name of 5-octan-2-yloxyisoquinolin-8-amine?
The IUPAC name of 5-octan-2-yloxyisoquinolin-8-amine (CID 43448927) is 5-octan-2-yloxyisoquinolin-8-amine.
What is the SMILES notation for 5-octan-2-yloxyisoquinolin-8-amine?
The canonical SMILES for 5-octan-2-yloxyisoquinolin-8-amine is CCCCCCC(C)Oc1ccc(N)c2cnccc12.
What is the InChIKey of 5-octan-2-yloxyisoquinolin-8-amine?
The InChIKey is FKHWIMUWFXQXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)20-17-9-8-16(18)15-12-19-11-10-14(15)17/h8-13H,3-7,18H2,1-2H3.
What are the key properties of 5-octan-2-yloxyisoquinolin-8-amine?
5-octan-2-yloxyisoquinolin-8-amine has a molecular weight of 272.39 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octan-2-yloxyisoquinolin-8-amine is sourced from PubChem (CID 43448927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).