N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide

C12H23N3O2 — CID 114292490

IUPACN'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C)(C(=O)N1CCCCC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-4-12(3,10(13)14-17)11(16)15-8-6-5-7-9(15)2/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGSHYTURSPYSGHF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds3

About N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide

N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide (PubChem CID 114292490) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
PubChem CID114292490
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C)(C(=O)N1CCCCC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-4-12(3,10(13)14-17)11(16)15-8-6-5-7-9(15)2/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGSHYTURSPYSGHF-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide (CID 114292490) is N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide is CCC(C)(C(=O)N1CCCCC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The InChIKey is GSHYTURSPYSGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-12(3,10(13)14-17)11(16)15-8-6-5-7-9(15)2/h9,17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide is sourced from PubChem (CID 114292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).