N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

C16H22N2O2 — CID 107037714

IUPACN-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1ccc2cnccc2c1
InChIInChI=1S/C16H22N2O2/c1-19-9-10-20-8-2-6-17-12-14-3-4-16-13-18-7-5-15(16)11-14/h3-5,7,11,13,17H,2,6,8-10,12H2,1H3
InChIKeyAIIOZGXTPBLWCI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.38
Rot. Bonds9

About N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 107037714) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID107037714
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1ccc2cnccc2c1
InChIInChI=1S/C16H22N2O2/c1-19-9-10-20-8-2-6-17-12-14-3-4-16-13-18-7-5-15(16)11-14/h3-5,7,11,13,17H,2,6,8-10,12H2,1H3
InChIKeyAIIOZGXTPBLWCI-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
2-[3-[[3-(2-methoxyethoxy)propylamino]methyl]phenoxy]acetonitrile
CID 43770866
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60870690
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (CID 107037714) is N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is AIIOZGXTPBLWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-9-10-20-8-2-6-17-12-14-3-4-16-13-18-7-5-15(16)11-14/h3-5,7,11,13,17H,2,6,8-10,12H2,1H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 107037714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).