2-(3-methylbutoxy)acetohydrazide

C7H16N2O2 — CID 63588728

IUPAC2-(3-methylbutoxy)acetohydrazide
SMILESCC(C)CCOCC(=O)NN
InChIInChI=1S/C7H16N2O2/c1-6(2)3-4-11-5-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyUNOIBSNBMWNBLO-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.04
Rot. Bonds5

About 2-(3-methylbutoxy)acetohydrazide

2-(3-methylbutoxy)acetohydrazide (PubChem CID 63588728) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(3-methylbutoxy)acetohydrazide.

Molecular Properties

Compound Name2-(3-methylbutoxy)acetohydrazide
PubChem CID63588728
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-(3-methylbutoxy)acetohydrazide
SMILESCC(C)CCOCC(=O)NN
InChIInChI=1S/C7H16N2O2/c1-6(2)3-4-11-5-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyUNOIBSNBMWNBLO-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-(3-methylbutoxy)acetohydrazide?
The IUPAC name of 2-(3-methylbutoxy)acetohydrazide (CID 63588728) is 2-(3-methylbutoxy)acetohydrazide.
What is the SMILES notation for 2-(3-methylbutoxy)acetohydrazide?
The canonical SMILES for 2-(3-methylbutoxy)acetohydrazide is CC(C)CCOCC(=O)NN.
What is the InChIKey of 2-(3-methylbutoxy)acetohydrazide?
The InChIKey is UNOIBSNBMWNBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)3-4-11-5-7(10)9-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-methylbutoxy)acetohydrazide?
2-(3-methylbutoxy)acetohydrazide has a molecular weight of 160.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)acetohydrazide is sourced from PubChem (CID 63588728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).