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

C16H22N2O — CID 103143798

IUPAC1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-4-6-15(19-3)16(17-2)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-17H,4,6H2,1-3H3
InChIKeyGUCRQYVQMXAFOS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds6

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

1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine (PubChem CID 103143798) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
PubChem CID103143798
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-4-6-15(19-3)16(17-2)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-17H,4,6H2,1-3H3
InChIKeyGUCRQYVQMXAFOS-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
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-methoxy-N-propylbutan-1-amine
CID 103143789
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 116715414

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine (CID 103143798) is 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine?
The InChIKey is GUCRQYVQMXAFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-6-15(19-3)16(17-2)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-17H,4,6H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine?
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.31, 6 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-methylpentan-1-amine is sourced from PubChem (CID 103143798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).