6-(2-methylpropoxy)isoquinolin-5-amine

C13H16N2O — CID 106948601

IUPAC6-(2-methylpropoxy)isoquinolin-5-amine
SMILESCC(C)COc1ccc2cnccc2c1N
InChIInChI=1S/C13H16N2O/c1-9(2)8-16-12-4-3-10-7-15-6-5-11(10)13(12)14/h3-7,9H,8,14H2,1-2H3
InChIKeySGOPYDZWHTYPBN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.85
Rot. Bonds3

About 6-(2-methylpropoxy)isoquinolin-5-amine

6-(2-methylpropoxy)isoquinolin-5-amine (PubChem CID 106948601) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(2-methylpropoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)isoquinolin-5-amine
PubChem CID106948601
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(2-methylpropoxy)isoquinolin-5-amine
SMILESCC(C)COc1ccc2cnccc2c1N
InChIInChI=1S/C13H16N2O/c1-9(2)8-16-12-4-3-10-7-15-6-5-11(10)13(12)14/h3-7,9H,8,14H2,1-2H3
InChIKeySGOPYDZWHTYPBN-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.85
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

6-(cyclopropylmethoxy)isoquinolin-5-amine
CID 106948623
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine
CID 106948611
2-amino-1-[4-(2-methylpropoxy)-3-pyridinyl]ethanol
CID 83885089
6-N-ethyl-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947622
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
6-(4-bromo-3-fluorophenoxy)isoquinolin-5-amine
CID 106948708
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734
6-propylsulfanylisoquinolin-5-amine
CID 106948782

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)isoquinolin-5-amine?
The IUPAC name of 6-(2-methylpropoxy)isoquinolin-5-amine (CID 106948601) is 6-(2-methylpropoxy)isoquinolin-5-amine.
What is the SMILES notation for 6-(2-methylpropoxy)isoquinolin-5-amine?
The canonical SMILES for 6-(2-methylpropoxy)isoquinolin-5-amine is CC(C)COc1ccc2cnccc2c1N.
What is the InChIKey of 6-(2-methylpropoxy)isoquinolin-5-amine?
The InChIKey is SGOPYDZWHTYPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)8-16-12-4-3-10-7-15-6-5-11(10)13(12)14/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)isoquinolin-5-amine?
6-(2-methylpropoxy)isoquinolin-5-amine has a molecular weight of 216.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)isoquinolin-5-amine is sourced from PubChem (CID 106948601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).