3-methylisoquinoline-1-carboximidamide

C11H11N3 — CID 82573405

IUPAC3-methylisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nc(C)cc2ccccc12
InChIInChI=1S/C11H11N3/c1-7-6-8-4-2-3-5-9(8)10(14-7)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyGIMHRIOYOBSKTL-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.83
Rot. Bonds1

About 3-methylisoquinoline-1-carboximidamide

3-methylisoquinoline-1-carboximidamide (PubChem CID 82573405) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methylisoquinoline-1-carboximidamide.

Molecular Properties

Compound Name3-methylisoquinoline-1-carboximidamide
PubChem CID82573405
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-methylisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nc(C)cc2ccccc12
InChIInChI=1S/C11H11N3/c1-7-6-8-4-2-3-5-9(8)10(14-7)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyGIMHRIOYOBSKTL-UHFFFAOYSA-N
XLogP1.83
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylisoquinoline-1-carboximidamide?
The IUPAC name of 3-methylisoquinoline-1-carboximidamide (CID 82573405) is 3-methylisoquinoline-1-carboximidamide.
What is the SMILES notation for 3-methylisoquinoline-1-carboximidamide?
The canonical SMILES for 3-methylisoquinoline-1-carboximidamide is [H]/N=C(\N)c1nc(C)cc2ccccc12.
What is the InChIKey of 3-methylisoquinoline-1-carboximidamide?
The InChIKey is GIMHRIOYOBSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7-6-8-4-2-3-5-9(8)10(14-7)11(12)13/h2-6H,1H3,(H3,12,13).
What are the key properties of 3-methylisoquinoline-1-carboximidamide?
3-methylisoquinoline-1-carboximidamide has a molecular weight of 185.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylisoquinoline-1-carboximidamide is sourced from PubChem (CID 82573405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).