(1R)-1-isoquinolin-3-ylethanamine

C11H12N2 — CID 131033550

IUPAC(1R)-1-isoquinolin-3-ylethanamine
SMILESC[C@@H](N)c1cc2ccccc2cn1
InChIInChI=1S/C11H12N2/c1-8(12)11-6-9-4-2-3-5-10(9)7-13-11/h2-8H,12H2,1H3/t8-/m1/s1
InChIKeyYJPCQCPOMLCUBJ-MRVPVSSYSA-N
MW172.23 g/mol
LogP2.25
Rot. Bonds1

About (1R)-1-isoquinolin-3-ylethanamine

(1R)-1-isoquinolin-3-ylethanamine (PubChem CID 131033550) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1R)-1-isoquinolin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-1-isoquinolin-3-ylethanamine
PubChem CID131033550
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1R)-1-isoquinolin-3-ylethanamine
SMILESC[C@@H](N)c1cc2ccccc2cn1
InChIInChI=1S/C11H12N2/c1-8(12)11-6-9-4-2-3-5-10(9)7-13-11/h2-8H,12H2,1H3/t8-/m1/s1
InChIKeyYJPCQCPOMLCUBJ-MRVPVSSYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-isoquinolin-3-ylethanamine?
The IUPAC name of (1R)-1-isoquinolin-3-ylethanamine (CID 131033550) is (1R)-1-isoquinolin-3-ylethanamine.
What is the SMILES notation for (1R)-1-isoquinolin-3-ylethanamine?
The canonical SMILES for (1R)-1-isoquinolin-3-ylethanamine is C[C@@H](N)c1cc2ccccc2cn1.
What is the InChIKey of (1R)-1-isoquinolin-3-ylethanamine?
The InChIKey is YJPCQCPOMLCUBJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8(12)11-6-9-4-2-3-5-10(9)7-13-11/h2-8H,12H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-isoquinolin-3-ylethanamine?
(1R)-1-isoquinolin-3-ylethanamine has a molecular weight of 172.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-isoquinolin-3-ylethanamine is sourced from PubChem (CID 131033550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).