2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide

C6H16N4O — CID 83015704

IUPAC2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
SMILESCCC(NN(C)C)C(N)=NO
InChIInChI=1S/C6H16N4O/c1-4-5(6(7)9-11)8-10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyKWVFWLAXCVBDPI-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.42
Rot. Bonds4

About 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide

2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide (PubChem CID 83015704) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
PubChem CID83015704
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
SMILESCCC(NN(C)C)C(N)=NO
InChIInChI=1S/C6H16N4O/c1-4-5(6(7)9-11)8-10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyKWVFWLAXCVBDPI-UHFFFAOYSA-N
XLogP-0.42
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.42
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 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide (CID 83015704) is 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide is CCC(NN(C)C)C(N)=NO.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide?
The InChIKey is KWVFWLAXCVBDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-4-5(6(7)9-11)8-10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide?
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide has a molecular weight of 160.22 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 83015704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).