(1-cyclobutyloxyisoquinolin-3-yl)methanamine

C14H16N2O — CID 62286989

IUPAC(1-cyclobutyloxyisoquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2c(OC2CCC2)n1
InChIInChI=1S/C14H16N2O/c15-9-11-8-10-4-1-2-7-13(10)14(16-11)17-12-5-3-6-12/h1-2,4,7-8,12H,3,5-6,9,15H2
InChIKeyIGOYPQSIXHVDKD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds3

About (1-cyclobutyloxyisoquinolin-3-yl)methanamine

(1-cyclobutyloxyisoquinolin-3-yl)methanamine (PubChem CID 62286989) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1-cyclobutyloxyisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyloxyisoquinolin-3-yl)methanamine
PubChem CID62286989
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1-cyclobutyloxyisoquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2c(OC2CCC2)n1
InChIInChI=1S/C14H16N2O/c15-9-11-8-10-4-1-2-7-13(10)14(16-11)17-12-5-3-6-12/h1-2,4,7-8,12H,3,5-6,9,15H2
InChIKeyIGOYPQSIXHVDKD-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyloxyisoquinolin-3-yl)methanamine?
The IUPAC name of (1-cyclobutyloxyisoquinolin-3-yl)methanamine (CID 62286989) is (1-cyclobutyloxyisoquinolin-3-yl)methanamine.
What is the SMILES notation for (1-cyclobutyloxyisoquinolin-3-yl)methanamine?
The canonical SMILES for (1-cyclobutyloxyisoquinolin-3-yl)methanamine is NCc1cc2ccccc2c(OC2CCC2)n1.
What is the InChIKey of (1-cyclobutyloxyisoquinolin-3-yl)methanamine?
The InChIKey is IGOYPQSIXHVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-11-8-10-4-1-2-7-13(10)14(16-11)17-12-5-3-6-12/h1-2,4,7-8,12H,3,5-6,9,15H2.
What are the key properties of (1-cyclobutyloxyisoquinolin-3-yl)methanamine?
(1-cyclobutyloxyisoquinolin-3-yl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyloxyisoquinolin-3-yl)methanamine is sourced from PubChem (CID 62286989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).