5-methyl-1H-isoquinolin-5-amine

C10H12N2 — CID 70196219

IUPAC5-methyl-1H-isoquinolin-5-amine
SMILESCC1(N)C=CC=C2CN=CC=C21
InChIInChI=1S/C10H12N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-6H,7,11H2,1H3
InChIKeyUTOQMUFXPOROGL-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.21
Rot. Bonds

About 5-methyl-1H-isoquinolin-5-amine

5-methyl-1H-isoquinolin-5-amine (PubChem CID 70196219) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-methyl-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name5-methyl-1H-isoquinolin-5-amine
PubChem CID70196219
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-methyl-1H-isoquinolin-5-amine
SMILESCC1(N)C=CC=C2CN=CC=C21
InChIInChI=1S/C10H12N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-6H,7,11H2,1H3
InChIKeyUTOQMUFXPOROGL-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-isoquinolin-5-amine?
The IUPAC name of 5-methyl-1H-isoquinolin-5-amine (CID 70196219) is 5-methyl-1H-isoquinolin-5-amine.
What is the SMILES notation for 5-methyl-1H-isoquinolin-5-amine?
The canonical SMILES for 5-methyl-1H-isoquinolin-5-amine is CC1(N)C=CC=C2CN=CC=C21.
What is the InChIKey of 5-methyl-1H-isoquinolin-5-amine?
The InChIKey is UTOQMUFXPOROGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-6H,7,11H2,1H3.
What are the key properties of 5-methyl-1H-isoquinolin-5-amine?
5-methyl-1H-isoquinolin-5-amine has a molecular weight of 160.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-isoquinolin-5-amine is sourced from PubChem (CID 70196219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).