1,2,3,4-tetrahydroisoquinoline-6-carboximidamide

C10H13N3 — CID 54411310

IUPAC1,2,3,4-tetrahydroisoquinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)CCNC2
InChIInChI=1S/C10H13N3/c11-10(12)8-1-2-9-6-13-4-3-7(9)5-8/h1-2,5,13H,3-4,6H2,(H3,11,12)
InChIKeyVUIPUAIVXKGNTD-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.62
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide

1,2,3,4-tetrahydroisoquinoline-6-carboximidamide (PubChem CID 54411310) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-6-carboximidamide
PubChem CID54411310
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1,2,3,4-tetrahydroisoquinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)CCNC2
InChIInChI=1S/C10H13N3/c11-10(12)8-1-2-9-6-13-4-3-7(9)5-8/h1-2,5,13H,3-4,6H2,(H3,11,12)
InChIKeyVUIPUAIVXKGNTD-UHFFFAOYSA-N
XLogP0.62
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
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 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide (CID 54411310) is 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide?
The InChIKey is VUIPUAIVXKGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10(12)8-1-2-9-6-13-4-3-7(9)5-8/h1-2,5,13H,3-4,6H2,(H3,11,12).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide?
1,2,3,4-tetrahydroisoquinoline-6-carboximidamide has a molecular weight of 175.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-6-carboximidamide is sourced from PubChem (CID 54411310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).