N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide

C10H13N3O — CID 165442259

IUPACN'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide
SMILESN/C(=N/O)c1nccc2c1CCCC2
InChIInChI=1S/C10H13N3O/c11-10(13-14)9-8-4-2-1-3-7(8)5-6-12-9/h5-6,14H,1-4H2,(H2,11,13)
InChIKeySKHXYKIZRRHZAP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.05
Rot. Bonds1

About N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide

N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide (PubChem CID 165442259) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide
PubChem CID165442259
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide
SMILESN/C(=N/O)c1nccc2c1CCCC2
InChIInChI=1S/C10H13N3O/c11-10(13-14)9-8-4-2-1-3-7(8)5-6-12-9/h5-6,14H,1-4H2,(H2,11,13)
InChIKeySKHXYKIZRRHZAP-UHFFFAOYSA-N
XLogP1.05
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methylisoquinoline
CID 14306
5,6,7,8-Tetrahydroisoquinoline
CID 119010
Midaglizole
CID 68864
4-Aminoisoquinoline
CID 90237
5,6,7,8-Tetrahydroquinoline
CID 66335
2-Pyridylamidoxime
CID 135445506
1-Methylisoquinoline
CID 15592
2-Phenylpyridine 1-Oxide
CID 302489
Phenyl 2-pyridyl ketoxime
CID 135427108
Methanone, phenyl-2-pyridinyl-, oxime
CID 135408615
5-[4-(4-Carbamimidoylphenyl)phenyl]pyridine-2-carboximidamide
CID 24752325
2-(2-Phenylvinyl)pyridine 1-oxide
CID 5915661

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide?
The IUPAC name of N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide (CID 165442259) is N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide is N/C(=N/O)c1nccc2c1CCCC2.
What is the InChIKey of N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide?
The InChIKey is SKHXYKIZRRHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(13-14)9-8-4-2-1-3-7(8)5-6-12-9/h5-6,14H,1-4H2,(H2,11,13).
What are the key properties of N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide?
N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide has a molecular weight of 191.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide is sourced from PubChem (CID 165442259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).