N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine

C15H20N2O2 — CID 107166793

IUPACN-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1ccc2cnccc2c1)OC
InChIInChI=1S/C15H20N2O2/c1-18-11-15(19-2)10-17-8-12-3-4-14-9-16-6-5-13(14)7-12/h3-7,9,15,17H,8,10-11H2,1-2H3
InChIKeyNWLFYKZOOGQFBH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds7

About N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine

N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine (PubChem CID 107166793) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
PubChem CID107166793
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1ccc2cnccc2c1)OC
InChIInChI=1S/C15H20N2O2/c1-18-11-15(19-2)10-17-8-12-3-4-14-9-16-6-5-13(14)7-12/h3-7,9,15,17H,8,10-11H2,1-2H3
InChIKeyNWLFYKZOOGQFBH-UHFFFAOYSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
CID 107038561
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
2-[(isoquinolin-7-ylmethylamino)methyl]butanoic acid
CID 166265909
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine (CID 107166793) is N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine is COCC(CNCc1ccc2cnccc2c1)OC.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine?
The InChIKey is NWLFYKZOOGQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-11-15(19-2)10-17-8-12-3-4-14-9-16-6-5-13(14)7-12/h3-7,9,15,17H,8,10-11H2,1-2H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine?
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 107166793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).