N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

C10H19N3O — CID 76944292

IUPACN'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNC(=NO)N1CCCC2CCCCC21
InChIInChI=1S/C10H19N3O/c11-10(12-14)13-7-3-5-8-4-1-2-6-9(8)13/h8-9,14H,1-7H2,(H2,11,12)
InChIKeyXRZLKZAPYCMRST-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.34
Rot. Bonds

About N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 76944292) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID76944292
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNC(=NO)N1CCCC2CCCCC21
InChIInChI=1S/C10H19N3O/c11-10(12-14)13-7-3-5-8-4-1-2-6-9(8)13/h8-9,14H,1-7H2,(H2,11,12)
InChIKeyXRZLKZAPYCMRST-UHFFFAOYSA-N
XLogP1.34
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.34
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 76944292) is N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is NC(=NO)N1CCCC2CCCCC21.
What is the InChIKey of N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is XRZLKZAPYCMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(12-14)13-7-3-5-8-4-1-2-6-9(8)13/h8-9,14H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 197.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 76944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).