(1-cyclohexyloxyisoquinolin-3-yl)methanamine

C16H20N2O — CID 62290253

IUPAC(1-cyclohexyloxyisoquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2c(OC2CCCCC2)n1
InChIInChI=1S/C16H20N2O/c17-11-13-10-12-6-4-5-9-15(12)16(18-13)19-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11,17H2
InChIKeyJATXEJHAODUXKL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.40
Rot. Bonds3

About (1-cyclohexyloxyisoquinolin-3-yl)methanamine

(1-cyclohexyloxyisoquinolin-3-yl)methanamine (PubChem CID 62290253) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1-cyclohexyloxyisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclohexyloxyisoquinolin-3-yl)methanamine
PubChem CID62290253
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1-cyclohexyloxyisoquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2c(OC2CCCCC2)n1
InChIInChI=1S/C16H20N2O/c17-11-13-10-12-6-4-5-9-15(12)16(18-13)19-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11,17H2
InChIKeyJATXEJHAODUXKL-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxyisoquinolin-3-yl)methanamine?
The IUPAC name of (1-cyclohexyloxyisoquinolin-3-yl)methanamine (CID 62290253) is (1-cyclohexyloxyisoquinolin-3-yl)methanamine.
What is the SMILES notation for (1-cyclohexyloxyisoquinolin-3-yl)methanamine?
The canonical SMILES for (1-cyclohexyloxyisoquinolin-3-yl)methanamine is NCc1cc2ccccc2c(OC2CCCCC2)n1.
What is the InChIKey of (1-cyclohexyloxyisoquinolin-3-yl)methanamine?
The InChIKey is JATXEJHAODUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-11-13-10-12-6-4-5-9-15(12)16(18-13)19-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11,17H2.
What are the key properties of (1-cyclohexyloxyisoquinolin-3-yl)methanamine?
(1-cyclohexyloxyisoquinolin-3-yl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxyisoquinolin-3-yl)methanamine is sourced from PubChem (CID 62290253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).