N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine

C17H24N2O2 — CID 62288617

IUPACN-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2c(OCCCOC)n1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-13-15-12-14-7-4-5-8-16(14)17(19-15)21-11-6-10-20-2/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3
InChIKeyGKGONMDTIZBXPH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.15
Rot. Bonds9

About N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine

N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine (PubChem CID 62288617) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
PubChem CID62288617
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2c(OCCCOC)n1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-13-15-12-14-7-4-5-8-16(14)17(19-15)21-11-6-10-20-2/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3
InChIKeyGKGONMDTIZBXPH-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 114470589
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
N-[[1-[(2-methylpropan-2-yl)oxy]isoquinolin-3-yl]methyl]propan-1-amine
CID 62292556
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073
N-[(1-pent-4-enoxyisoquinolin-3-yl)methyl]ethanamine
CID 79112680
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 106205344
N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
CID 62292584
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
CID 104566277
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine (CID 62288617) is N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine is CCCNCc1cc2ccccc2c(OCCCOC)n1.
What is the InChIKey of N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine?
The InChIKey is GKGONMDTIZBXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-9-18-13-15-12-14-7-4-5-8-16(14)17(19-15)21-11-6-10-20-2/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine?
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62288617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).