N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide

C8H16N2O2 — CID 87661423

IUPACN-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide
SMILESCCC(=O)CC(C)C/N=C/NO
InChIInChI=1S/C8H16N2O2/c1-3-8(11)4-7(2)5-9-6-10-12/h6-7,12H,3-5H2,1-2H3,(H,9,10)
InChIKeyWKQQWKKKOONGIG-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.00
Rot. Bonds6

About N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide

N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide (PubChem CID 87661423) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide
PubChem CID87661423
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide
SMILESCCC(=O)CC(C)C/N=C/NO
InChIInChI=1S/C8H16N2O2/c1-3-8(11)4-7(2)5-9-6-10-12/h6-7,12H,3-5H2,1-2H3,(H,9,10)
InChIKeyWKQQWKKKOONGIG-UHFFFAOYSA-N
XLogP1.00
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.00
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide (CID 87661423) is N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide is CCC(=O)CC(C)C/N=C/NO.
What is the InChIKey of N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide?
The InChIKey is WKQQWKKKOONGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-8(11)4-7(2)5-9-6-10-12/h6-7,12H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide?
N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide has a molecular weight of 172.23 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methyl-4-oxohexyl)methanimidamide is sourced from PubChem (CID 87661423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).