N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine

C17H20N4 — CID 62351846

IUPACN-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(-n2cnc(C)c2C)n1
InChIInChI=1S/C17H20N4/c1-4-18-10-15-9-14-7-5-6-8-16(14)17(20-15)21-11-19-12(2)13(21)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyXYZMOJODOYOZJJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.15
Rot. Bonds4

About N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine

N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine (PubChem CID 62351846) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine
PubChem CID62351846
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(-n2cnc(C)c2C)n1
InChIInChI=1S/C17H20N4/c1-4-18-10-15-9-14-7-5-6-8-16(14)17(20-15)21-11-19-12(2)13(21)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyXYZMOJODOYOZJJ-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine (CID 62351846) is N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine is CCNCc1cc2ccccc2c(-n2cnc(C)c2C)n1.
What is the InChIKey of N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine?
The InChIKey is XYZMOJODOYOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-10-15-9-14-7-5-6-8-16(14)17(20-15)21-11-19-12(2)13(21)3/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine?
N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62351846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).