5-methylisoquinolin-1-amine

C10H10N2 — CID 21041476

IUPAC5-methylisoquinolin-1-amine
SMILESCc1cccc2c(N)nccc12
InChIInChI=1S/C10H10N2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11/h2-6H,1H3,(H2,11,12)
InChIKeyFMFBEJKHKJDXAX-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds

About 5-methylisoquinolin-1-amine

5-methylisoquinolin-1-amine (PubChem CID 21041476) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-methylisoquinolin-1-amine.

Molecular Properties

Compound Name5-methylisoquinolin-1-amine
PubChem CID21041476
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5-methylisoquinolin-1-amine
SMILESCc1cccc2c(N)nccc12
InChIInChI=1S/C10H10N2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11/h2-6H,1H3,(H2,11,12)
InChIKeyFMFBEJKHKJDXAX-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methylisoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylisoquinolin-1-amine?
The IUPAC name of 5-methylisoquinolin-1-amine (CID 21041476) is 5-methylisoquinolin-1-amine.
What is the SMILES notation for 5-methylisoquinolin-1-amine?
The canonical SMILES for 5-methylisoquinolin-1-amine is Cc1cccc2c(N)nccc12.
What is the InChIKey of 5-methylisoquinolin-1-amine?
The InChIKey is FMFBEJKHKJDXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11/h2-6H,1H3,(H2,11,12).
What are the key properties of 5-methylisoquinolin-1-amine?
5-methylisoquinolin-1-amine has a molecular weight of 158.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylisoquinolin-1-amine is sourced from PubChem (CID 21041476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).