N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide

C11H25N3O — CID 83143473

IUPACN'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
SMILESCCC(NCC(C)C(C)(C)C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-6-9(10(12)14-15)13-7-8(2)11(3,4)5/h8-9,13,15H,6-7H2,1-5H3,(H2,12,14)
InChIKeyXFHVEULXNVWBFX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.78
Rot. Bonds5

About N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide

N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide (PubChem CID 83143473) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
PubChem CID83143473
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
SMILESCCC(NCC(C)C(C)(C)C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-6-9(10(12)14-15)13-7-8(2)11(3,4)5/h8-9,13,15H,6-7H2,1-5H3,(H2,12,14)
InChIKeyXFHVEULXNVWBFX-UHFFFAOYSA-N
XLogP1.78
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
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-2-(2,3,3-trimethylbutylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide (CID 83143473) is N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide is CCC(NCC(C)C(C)(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide?
The InChIKey is XFHVEULXNVWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-9(10(12)14-15)13-7-8(2)11(3,4)5/h8-9,13,15H,6-7H2,1-5H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide?
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide is sourced from PubChem (CID 83143473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).