1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine

C17H24N2O — CID 103143789

IUPAC1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(CC)OC
InChIInChI=1S/C17H24N2O/c1-4-10-19-17(16(5-2)20-3)14-8-6-7-13-9-11-18-12-15(13)14/h6-9,11-12,16-17,19H,4-5,10H2,1-3H3
InChIKeyGMPVWXCDMLJIGM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.70
Rot. Bonds7

About 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine

1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine (PubChem CID 103143789) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
PubChem CID103143789
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(CC)OC
InChIInChI=1S/C17H24N2O/c1-4-10-19-17(16(5-2)20-3)14-8-6-7-13-9-11-18-12-15(13)14/h6-9,11-12,16-17,19H,4-5,10H2,1-3H3
InChIKeyGMPVWXCDMLJIGM-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 103137787
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
N-(2-butan-2-ylsulfanyl-1-isoquinolin-8-ylethyl)propan-1-amine
CID 103143600
N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine
CID 103136300
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine (CID 103143789) is 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine is CCCNC(c1cccc2ccncc12)C(CC)OC.
What is the InChIKey of 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine?
The InChIKey is GMPVWXCDMLJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-19-17(16(5-2)20-3)14-8-6-7-13-9-11-18-12-15(13)14/h6-9,11-12,16-17,19H,4-5,10H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine?
1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 103143789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).