3-amino-2-hexan-2-ylisoquinolin-1-one

C15H20N2O — CID 55049824

IUPAC3-amino-2-hexan-2-ylisoquinolin-1-one
SMILESCCCCC(C)n1c(N)cc2ccccc2c1=O
InChIInChI=1S/C15H20N2O/c1-3-4-7-11(2)17-14(16)10-12-8-5-6-9-13(12)15(17)18/h5-6,8-11H,3-4,7,16H2,1-2H3
InChIKeyRAEWVRPUHUGYAU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-2-hexan-2-ylisoquinolin-1-one

3-amino-2-hexan-2-ylisoquinolin-1-one (PubChem CID 55049824) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-2-hexan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-hexan-2-ylisoquinolin-1-one
PubChem CID55049824
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-amino-2-hexan-2-ylisoquinolin-1-one
SMILESCCCCC(C)n1c(N)cc2ccccc2c1=O
InChIInChI=1S/C15H20N2O/c1-3-4-7-11(2)17-14(16)10-12-8-5-6-9-13(12)15(17)18/h5-6,8-11H,3-4,7,16H2,1-2H3
InChIKeyRAEWVRPUHUGYAU-UHFFFAOYSA-N
XLogP3.33
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hexan-2-ylisoquinolin-1-one?
The IUPAC name of 3-amino-2-hexan-2-ylisoquinolin-1-one (CID 55049824) is 3-amino-2-hexan-2-ylisoquinolin-1-one.
What is the SMILES notation for 3-amino-2-hexan-2-ylisoquinolin-1-one?
The canonical SMILES for 3-amino-2-hexan-2-ylisoquinolin-1-one is CCCCC(C)n1c(N)cc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-hexan-2-ylisoquinolin-1-one?
The InChIKey is RAEWVRPUHUGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-7-11(2)17-14(16)10-12-8-5-6-9-13(12)15(17)18/h5-6,8-11H,3-4,7,16H2,1-2H3.
What are the key properties of 3-amino-2-hexan-2-ylisoquinolin-1-one?
3-amino-2-hexan-2-ylisoquinolin-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hexan-2-ylisoquinolin-1-one is sourced from PubChem (CID 55049824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).