3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide

C11H25N3O — CID 76912505

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)C(C)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-8(7-10(12)13-15)14(6)9(2)11(3,4)5/h8-9,15H,7H2,1-6H3,(H2,12,13)
InChIKeyAQJAKWOQJNRASN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds4

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide

3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 76912505) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID76912505
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)C(C)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-8(7-10(12)13-15)14(6)9(2)11(3,4)5/h8-9,15H,7H2,1-6H3,(H2,12,13)
InChIKeyAQJAKWOQJNRASN-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.88
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 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide (CID 76912505) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(C)C(C)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is AQJAKWOQJNRASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(7-10(12)13-15)14(6)9(2)11(3,4)5/h8-9,15H,7H2,1-6H3,(H2,12,13).
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide?
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).