6-(cyclopropylmethoxy)isoquinolin-5-amine

C13H14N2O — CID 106948623

IUPAC6-(cyclopropylmethoxy)isoquinolin-5-amine
SMILESNc1c(OCC2CC2)ccc2cnccc12
InChIInChI=1S/C13H14N2O/c14-13-11-5-6-15-7-10(11)3-4-12(13)16-8-9-1-2-9/h3-7,9H,1-2,8,14H2
InChIKeyHEKPWHSXYHEWAG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.61
Rot. Bonds3

About 6-(cyclopropylmethoxy)isoquinolin-5-amine

6-(cyclopropylmethoxy)isoquinolin-5-amine (PubChem CID 106948623) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)isoquinolin-5-amine
PubChem CID106948623
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-(cyclopropylmethoxy)isoquinolin-5-amine
SMILESNc1c(OCC2CC2)ccc2cnccc12
InChIInChI=1S/C13H14N2O/c14-13-11-5-6-15-7-10(11)3-4-12(13)16-8-9-1-2-9/h3-7,9H,1-2,8,14H2
InChIKeyHEKPWHSXYHEWAG-UHFFFAOYSA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.61
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-(2-methylpropoxy)isoquinolin-5-amine
CID 106948601
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
4-bromo-3-(cyclopropylmethoxy)pyridine
CID 90156558
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine
CID 106948611
3-bromo-4-(piperidin-4-ylmethoxy)pyridine
CID 104779217
2-(5-aminoisoquinolin-6-yl)oxybenzonitrile
CID 106948597
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)isoquinolin-5-amine?
The IUPAC name of 6-(cyclopropylmethoxy)isoquinolin-5-amine (CID 106948623) is 6-(cyclopropylmethoxy)isoquinolin-5-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)isoquinolin-5-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)isoquinolin-5-amine is Nc1c(OCC2CC2)ccc2cnccc12.
What is the InChIKey of 6-(cyclopropylmethoxy)isoquinolin-5-amine?
The InChIKey is HEKPWHSXYHEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13-11-5-6-15-7-10(11)3-4-12(13)16-8-9-1-2-9/h3-7,9H,1-2,8,14H2.
What are the key properties of 6-(cyclopropylmethoxy)isoquinolin-5-amine?
6-(cyclopropylmethoxy)isoquinolin-5-amine has a molecular weight of 214.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)isoquinolin-5-amine is sourced from PubChem (CID 106948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).