2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C15H21N3O — CID 106539278

IUPAC2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc2c(NC(C)CN(C)C)nccc2c1
InChIInChI=1S/C15H21N3O/c1-11(10-18(2)3)17-15-14-6-5-13(19-4)9-12(14)7-8-16-15/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyZFXFADRZHYWUNC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds5

About 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 106539278) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID106539278
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc2c(NC(C)CN(C)C)nccc2c1
InChIInChI=1S/C15H21N3O/c1-11(10-18(2)3)17-15-14-6-5-13(19-4)9-12(14)7-8-16-15/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyZFXFADRZHYWUNC-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
N-(4-bromopentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543031
N-(4-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
N-(1-chloro-4-methylpentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106542718
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 106539278) is 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc2c(NC(C)CN(C)C)nccc2c1.
What is the InChIKey of 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ZFXFADRZHYWUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(10-18(2)3)17-15-14-6-5-13(19-4)9-12(14)7-8-16-15/h5-9,11H,10H2,1-4H3,(H,16,17).
What are the key properties of 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 106539278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).