4-isoquinolin-5-yl-N-methylpentan-2-amine

C15H20N2 — CID 64719637

IUPAC4-isoquinolin-5-yl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1cccc2cnccc12
InChIInChI=1S/C15H20N2/c1-11(9-12(2)16-3)14-6-4-5-13-10-17-8-7-15(13)14/h4-8,10-12,16H,9H2,1-3H3
InChIKeyGVQCPLBBIUWMCD-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.34
Rot. Bonds4

About 4-isoquinolin-5-yl-N-methylpentan-2-amine

4-isoquinolin-5-yl-N-methylpentan-2-amine (PubChem CID 64719637) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-isoquinolin-5-yl-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-isoquinolin-5-yl-N-methylpentan-2-amine
PubChem CID64719637
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-isoquinolin-5-yl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1cccc2cnccc12
InChIInChI=1S/C15H20N2/c1-11(9-12(2)16-3)14-6-4-5-13-10-17-8-7-15(13)14/h4-8,10-12,16H,9H2,1-3H3
InChIKeyGVQCPLBBIUWMCD-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
N-(3-isoquinolin-5-ylbutyl)cyclopropanamine
CID 81018964
1-isoquinolin-5-yl-3-(methylamino)propane-1,2-diol
CID 171858165
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970
1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115853114
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-5-yl-N-methylpentan-2-amine?
The IUPAC name of 4-isoquinolin-5-yl-N-methylpentan-2-amine (CID 64719637) is 4-isoquinolin-5-yl-N-methylpentan-2-amine.
What is the SMILES notation for 4-isoquinolin-5-yl-N-methylpentan-2-amine?
The canonical SMILES for 4-isoquinolin-5-yl-N-methylpentan-2-amine is CNC(C)CC(C)c1cccc2cnccc12.
What is the InChIKey of 4-isoquinolin-5-yl-N-methylpentan-2-amine?
The InChIKey is GVQCPLBBIUWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(9-12(2)16-3)14-6-4-5-13-10-17-8-7-15(13)14/h4-8,10-12,16H,9H2,1-3H3.
What are the key properties of 4-isoquinolin-5-yl-N-methylpentan-2-amine?
4-isoquinolin-5-yl-N-methylpentan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-5-yl-N-methylpentan-2-amine is sourced from PubChem (CID 64719637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).