N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide

C15H27N3O2 — CID 104939794

IUPACN'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CC(C)C(C)N(C(=O)C2(C(N)=NO)CC(C)C2)C1
InChIInChI=1S/C15H27N3O2/c1-9-5-11(3)12(4)18(8-9)14(19)15(13(16)17-20)6-10(2)7-15/h9-12,20H,5-8H2,1-4H3,(H2,16,17)
InChIKeyJAXUJCYUXIVGTJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.04
Rot. Bonds2

About N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide

N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 104939794) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide
PubChem CID104939794
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CC(C)C(C)N(C(=O)C2(C(N)=NO)CC(C)C2)C1
InChIInChI=1S/C15H27N3O2/c1-9-5-11(3)12(4)18(8-9)14(19)15(13(16)17-20)6-10(2)7-15/h9-12,20H,5-8H2,1-4H3,(H2,16,17)
InChIKeyJAXUJCYUXIVGTJ-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.04
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-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide (CID 104939794) is N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide is CC1CC(C)C(C)N(C(=O)C2(C(N)=NO)CC(C)C2)C1.
What is the InChIKey of N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is JAXUJCYUXIVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-9-5-11(3)12(4)18(8-9)14(19)15(13(16)17-20)6-10(2)7-15/h9-12,20H,5-8H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 104939794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).