2-isoquinolin-5-yl-2-methylpropan-1-amine

C13H16N2 — CID 81020773

IUPAC2-isoquinolin-5-yl-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc2cnccc12
InChIInChI=1S/C13H16N2/c1-13(2,9-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-8H,9,14H2,1-2H3
InChIKeyKPHUTUXKFNYUSX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds2

About 2-isoquinolin-5-yl-2-methylpropan-1-amine

2-isoquinolin-5-yl-2-methylpropan-1-amine (PubChem CID 81020773) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-5-yl-2-methylpropan-1-amine
PubChem CID81020773
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-isoquinolin-5-yl-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc2cnccc12
InChIInChI=1S/C13H16N2/c1-13(2,9-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-8H,9,14H2,1-2H3
InChIKeyKPHUTUXKFNYUSX-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
CID 81033755
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
CID 103391450
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine
CID 126980203

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-2-methylpropan-1-amine?
The IUPAC name of 2-isoquinolin-5-yl-2-methylpropan-1-amine (CID 81020773) is 2-isoquinolin-5-yl-2-methylpropan-1-amine.
What is the SMILES notation for 2-isoquinolin-5-yl-2-methylpropan-1-amine?
The canonical SMILES for 2-isoquinolin-5-yl-2-methylpropan-1-amine is CC(C)(CN)c1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-yl-2-methylpropan-1-amine?
The InChIKey is KPHUTUXKFNYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,9-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-8H,9,14H2,1-2H3.
What are the key properties of 2-isoquinolin-5-yl-2-methylpropan-1-amine?
2-isoquinolin-5-yl-2-methylpropan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-2-methylpropan-1-amine is sourced from PubChem (CID 81020773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).