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

C18H26N2O — CID 103143800

IUPAC1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(CCC)OC
InChIInChI=1S/C18H26N2O/c1-4-7-17(21-3)18(20-11-5-2)15-9-6-8-14-10-12-19-13-16(14)15/h6,8-10,12-13,17-18,20H,4-5,7,11H2,1-3H3
InChIKeyXLRLANTWZRYRMP-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds8

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

1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine (PubChem CID 103143800) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
PubChem CID103143800
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(CCC)OC
InChIInChI=1S/C18H26N2O/c1-4-7-17(21-3)18(20-11-5-2)15-9-6-8-14-10-12-19-13-16(14)15/h6,8-10,12-13,17-18,20H,4-5,7,11H2,1-3H3
InChIKeyXLRLANTWZRYRMP-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 103137787
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine (CID 103143800) is 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine is CCCNC(c1cccc2ccncc12)C(CCC)OC.
What is the InChIKey of 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine?
The InChIKey is XLRLANTWZRYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-7-17(21-3)18(20-11-5-2)15-9-6-8-14-10-12-19-13-16(14)15/h6,8-10,12-13,17-18,20H,4-5,7,11H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine?
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.09, 8 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-propylpentan-1-amine is sourced from PubChem (CID 103143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).