N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide

C11H25N3O2 — CID 79379098

IUPACN'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-10(2,9(12)13-16)6-7-14(5)8-11(3,4)15/h15-16H,6-8H2,1-5H3,(H2,12,13)
InChIKeyRPABNDJKWMUQIK-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.85
Rot. Bonds6

About N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide (PubChem CID 79379098) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
PubChem CID79379098
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-10(2,9(12)13-16)6-7-14(5)8-11(3,4)15/h15-16H,6-8H2,1-5H3,(H2,12,13)
InChIKeyRPABNDJKWMUQIK-UHFFFAOYSA-N
XLogP0.85
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.85
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 N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide (CID 79379098) is N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide is CN(CCC(C)(C)C(N)=NO)CC(C)(C)O.
What is the InChIKey of N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is RPABNDJKWMUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2,9(12)13-16)6-7-14(5)8-11(3,4)15/h15-16H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 79379098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).