4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C13H28N4O — CID 83016539

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1CCCC(C)N1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N4O/c1-10-6-5-7-11(2)17(10)15-9-8-13(3,4)12(14)16-18/h10-11,15,18H,5-9H2,1-4H3,(H2,14,16)
InChIKeyIMQYFIXKHQBMKM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.92
Rot. Bonds5

About 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 83016539) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID83016539
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1CCCC(C)N1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N4O/c1-10-6-5-7-11(2)17(10)15-9-8-13(3,4)12(14)16-18/h10-11,15,18H,5-9H2,1-4H3,(H2,14,16)
InChIKeyIMQYFIXKHQBMKM-UHFFFAOYSA-N
XLogP1.92
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 83016539) is 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC1CCCC(C)N1NCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is IMQYFIXKHQBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-10-6-5-7-11(2)17(10)15-9-8-13(3,4)12(14)16-18/h10-11,15,18H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 83016539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).