4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C13H29N3O — CID 77062077

IUPAC4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(N(C)CCC(C)(C)C(N)=NO)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(12(2,3)4)16(7)9-8-13(5,6)11(14)15-17/h10,17H,8-9H2,1-7H3,(H2,14,15)
InChIKeyRDYCFGHLXZJCOH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.52
Rot. Bonds5

About 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062077) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062077
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(N(C)CCC(C)(C)C(N)=NO)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(12(2,3)4)16(7)9-8-13(5,6)11(14)15-17/h10,17H,8-9H2,1-7H3,(H2,14,15)
InChIKeyRDYCFGHLXZJCOH-UHFFFAOYSA-N
XLogP2.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.52
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 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062077) is 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(N(C)CCC(C)(C)C(N)=NO)C(C)(C)C.
What is the InChIKey of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is RDYCFGHLXZJCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(12(2,3)4)16(7)9-8-13(5,6)11(14)15-17/h10,17H,8-9H2,1-7H3,(H2,14,15).
What are the key properties of 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).