N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine

C17H25N3O — CID 106777424

IUPACN,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
SMILESCCN(CC)CCOc1ncc(CNC)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)10-11-21-17-16-9-7-6-8-15(16)14(12-18-3)13-19-17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyQYPKPMXGMQAOHT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds8

About N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine

N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine (PubChem CID 106777424) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
PubChem CID106777424
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
SMILESCCN(CC)CCOc1ncc(CNC)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)10-11-21-17-16-9-7-6-8-15(16)14(12-18-3)13-19-17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyQYPKPMXGMQAOHT-UHFFFAOYSA-N
XLogP2.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine
CID 76849267
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine (CID 106777424) is N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine is CCN(CC)CCOc1ncc(CNC)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine?
The InChIKey is QYPKPMXGMQAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(5-2)10-11-21-17-16-9-7-6-8-15(16)14(12-18-3)13-19-17/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine?
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine is sourced from PubChem (CID 106777424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).