N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine

C16H23N3O — CID 106542327

IUPACN'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nccc2c(OC)cccc12
InChIInChI=1S/C16H23N3O/c1-4-11-19(12-10-17-2)16-14-6-5-7-15(20-3)13(14)8-9-18-16/h5-9,17H,4,10-12H2,1-3H3
InChIKeyXPGLJMIURBCWRX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds7

About N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine

N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 106542327) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
PubChem CID106542327
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nccc2c(OC)cccc12
InChIInChI=1S/C16H23N3O/c1-4-11-19(12-10-17-2)16-14-6-5-7-15(20-3)13(14)8-9-18-16/h5-9,17H,4,10-12H2,1-3H3
InChIKeyXPGLJMIURBCWRX-UHFFFAOYSA-N
XLogP2.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
CID 106541421
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407
N-butyl-N-(2-chloroethyl)-5-methoxyisoquinolin-1-amine
CID 106542513
methyl 3-[ethyl-(5-methoxyisoquinolin-1-yl)amino]propanoate
CID 106541919
3-[2-methoxyethyl-(5-methoxyisoquinolin-1-yl)amino]propanenitrile
CID 106536675
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
2-[(5-methoxyisoquinolin-1-yl)-prop-2-ynylamino]acetic acid
CID 106536317
N'-(6-methoxy-2-pyridinyl)-N-methyl-N'-propylethane-1,2-diamine
CID 63587227
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine (CID 106542327) is N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)c1nccc2c(OC)cccc12.
What is the InChIKey of N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is XPGLJMIURBCWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-11-19(12-10-17-2)16-14-6-5-7-15(20-3)13(14)8-9-18-16/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine?
N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 106542327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).