1-isoquinolin-8-yl-N-methylpropan-1-amine

C13H16N2 — CID 103136782

IUPAC1-isoquinolin-8-yl-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C13H16N2/c1-3-13(14-2)11-6-4-5-10-7-8-15-9-12(10)11/h4-9,13-14H,3H2,1-2H3
InChIKeyIMBCNNDTSAFOJQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.91
Rot. Bonds3

About 1-isoquinolin-8-yl-N-methylpropan-1-amine

1-isoquinolin-8-yl-N-methylpropan-1-amine (PubChem CID 103136782) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methylpropan-1-amine
PubChem CID103136782
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-isoquinolin-8-yl-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C13H16N2/c1-3-13(14-2)11-6-4-5-10-7-8-15-9-12(10)11/h4-9,13-14H,3H2,1-2H3
InChIKeyIMBCNNDTSAFOJQ-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
N-(2-butan-2-ylsulfanyl-1-isoquinolin-8-ylethyl)propan-1-amine
CID 103143600
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methylpropan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-N-methylpropan-1-amine (CID 103136782) is 1-isoquinolin-8-yl-N-methylpropan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methylpropan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methylpropan-1-amine is CCC(NC)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N-methylpropan-1-amine?
The InChIKey is IMBCNNDTSAFOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-13(14-2)11-6-4-5-10-7-8-15-9-12(10)11/h4-9,13-14H,3H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methylpropan-1-amine?
1-isoquinolin-8-yl-N-methylpropan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methylpropan-1-amine is sourced from PubChem (CID 103136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).