(1S)-1-isoquinolin-5-ylethanamine

C11H12N2 — CID 92669179

IUPAC(1S)-1-isoquinolin-5-ylethanamine
SMILESC[C@H](N)c1cccc2cnccc12
InChIInChI=1S/C11H12N2/c1-8(12)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,12H2,1H3/t8-/m0/s1
InChIKeyQPDOKFBCSKHSEX-QMMMGPOBSA-N
MW172.23 g/mol
LogP2.25
Rot. Bonds1

About (1S)-1-isoquinolin-5-ylethanamine

(1S)-1-isoquinolin-5-ylethanamine (PubChem CID 92669179) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1S)-1-isoquinolin-5-ylethanamine.

Molecular Properties

Compound Name(1S)-1-isoquinolin-5-ylethanamine
PubChem CID92669179
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1S)-1-isoquinolin-5-ylethanamine
SMILESC[C@H](N)c1cccc2cnccc12
InChIInChI=1S/C11H12N2/c1-8(12)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,12H2,1H3/t8-/m0/s1
InChIKeyQPDOKFBCSKHSEX-QMMMGPOBSA-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 (1S)-1-isoquinolin-5-ylethanamine?
The IUPAC name of (1S)-1-isoquinolin-5-ylethanamine (CID 92669179) is (1S)-1-isoquinolin-5-ylethanamine.
What is the SMILES notation for (1S)-1-isoquinolin-5-ylethanamine?
The canonical SMILES for (1S)-1-isoquinolin-5-ylethanamine is C[C@H](N)c1cccc2cnccc12.
What is the InChIKey of (1S)-1-isoquinolin-5-ylethanamine?
The InChIKey is QPDOKFBCSKHSEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2/c1-8(12)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,12H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-isoquinolin-5-ylethanamine?
(1S)-1-isoquinolin-5-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 (1S)-1-isoquinolin-5-ylethanamine is sourced from PubChem (CID 92669179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).