isoquinolin-4-yl(oxan-3-yl)methanamine

C15H18N2O — CID 65331748

IUPACisoquinolin-4-yl(oxan-3-yl)methanamine
SMILESNC(c1cncc2ccccc12)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-15(12-5-3-7-18-10-12)14-9-17-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,15H,3,5,7,10,16H2
InChIKeyQTUYQMSIFYGXRG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.66
Rot. Bonds2

About isoquinolin-4-yl(oxan-3-yl)methanamine

isoquinolin-4-yl(oxan-3-yl)methanamine (PubChem CID 65331748) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is isoquinolin-4-yl(oxan-3-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-4-yl(oxan-3-yl)methanamine
PubChem CID65331748
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameisoquinolin-4-yl(oxan-3-yl)methanamine
SMILESNC(c1cncc2ccccc12)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-15(12-5-3-7-18-10-12)14-9-17-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,15H,3,5,7,10,16H2
InChIKeyQTUYQMSIFYGXRG-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
isoquinolin-1-yl(oxan-3-yl)methanamine
CID 107136367
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330415
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
oxan-3-yl(pyrazolo[1,5-a]pyridin-3-yl)methanamine
CID 107138761
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl(oxan-3-yl)methanamine?
The IUPAC name of isoquinolin-4-yl(oxan-3-yl)methanamine (CID 65331748) is isoquinolin-4-yl(oxan-3-yl)methanamine.
What is the SMILES notation for isoquinolin-4-yl(oxan-3-yl)methanamine?
The canonical SMILES for isoquinolin-4-yl(oxan-3-yl)methanamine is NC(c1cncc2ccccc12)C1CCCOC1.
What is the InChIKey of isoquinolin-4-yl(oxan-3-yl)methanamine?
The InChIKey is QTUYQMSIFYGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-15(12-5-3-7-18-10-12)14-9-17-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,15H,3,5,7,10,16H2.
What are the key properties of isoquinolin-4-yl(oxan-3-yl)methanamine?
isoquinolin-4-yl(oxan-3-yl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl(oxan-3-yl)methanamine is sourced from PubChem (CID 65331748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).