N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine

C17H22N2O — CID 106205344

IUPACN-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(OCCC2CC2)n1
InChIInChI=1S/C17H22N2O/c1-2-18-12-15-11-14-5-3-4-6-16(14)17(19-15)20-10-9-13-7-8-13/h3-6,11,13,18H,2,7-10,12H2,1H3
InChIKeyVOUFUEZXODHVTG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.52
Rot. Bonds7

About N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine

N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine (PubChem CID 106205344) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
PubChem CID106205344
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2c(OCCC2CC2)n1
InChIInChI=1S/C17H22N2O/c1-2-18-12-15-11-14-5-3-4-6-16(14)17(19-15)20-10-9-13-7-8-13/h3-6,11,13,18H,2,7-10,12H2,1H3
InChIKeyVOUFUEZXODHVTG-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
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5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9881053
Quotane
CID 17714
4-Methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline iodide
CID 9550335
9-Butyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9819953
9-Methyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9857899
9-Ethyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9858485
9-Pentyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 10270343
4-Methyl-2-(2-(piperidin-1-yl)ethoxy)quinoline hydrochloride
CID 6602778
6-(1-Ethyl-piperidin-4-ylmethoxy)-8,9,10,11-tetrahydro-7H-5,11-diaza-cyclohepta[a]naphthalene
CID 9881054
6-(1-Propyl-piperidin-4-ylmethoxy)-8,9,10,11-tetrahydro-7H-5,11-diaza-cyclohepta[a]naphthalene
CID 10291662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine (CID 106205344) is N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine is CCNCc1cc2ccccc2c(OCCC2CC2)n1.
What is the InChIKey of N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine?
The InChIKey is VOUFUEZXODHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-18-12-15-11-14-5-3-4-6-16(14)17(19-15)20-10-9-13-7-8-13/h3-6,11,13,18H,2,7-10,12H2,1H3.
What are the key properties of N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine?
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 106205344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).