3-butan-2-yloxy-2,2-dimethylpropanehydrazide

C9H20N2O2 — CID 79628507

IUPAC3-butan-2-yloxy-2,2-dimethylpropanehydrazide
SMILESCCC(C)OCC(C)(C)C(=O)NN
InChIInChI=1S/C9H20N2O2/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyDMFUHEBHEXKDCL-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.82
Rot. Bonds5

About 3-butan-2-yloxy-2,2-dimethylpropanehydrazide

3-butan-2-yloxy-2,2-dimethylpropanehydrazide (PubChem CID 79628507) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-butan-2-yloxy-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-2,2-dimethylpropanehydrazide
PubChem CID79628507
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-butan-2-yloxy-2,2-dimethylpropanehydrazide
SMILESCCC(C)OCC(C)(C)C(=O)NN
InChIInChI=1S/C9H20N2O2/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyDMFUHEBHEXKDCL-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-butan-2-yloxy-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-butan-2-yloxy-2,2-dimethylpropanehydrazide (CID 79628507) is 3-butan-2-yloxy-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-butan-2-yloxy-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-butan-2-yloxy-2,2-dimethylpropanehydrazide is CCC(C)OCC(C)(C)C(=O)NN.
What is the InChIKey of 3-butan-2-yloxy-2,2-dimethylpropanehydrazide?
The InChIKey is DMFUHEBHEXKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 3-butan-2-yloxy-2,2-dimethylpropanehydrazide?
3-butan-2-yloxy-2,2-dimethylpropanehydrazide has a molecular weight of 188.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79628507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).