2-methoxy-3,3-dimethylbutanehydrazide

C7H16N2O2 — CID 130965061

IUPAC2-methoxy-3,3-dimethylbutanehydrazide
SMILESCOC(C(=O)NN)C(C)(C)C
InChIInChI=1S/C7H16N2O2/c1-7(2,3)5(11-4)6(10)9-8/h5H,8H2,1-4H3,(H,9,10)
InChIKeyARFIVRTXTUSFFU-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.04
Rot. Bonds2

About 2-methoxy-3,3-dimethylbutanehydrazide

2-methoxy-3,3-dimethylbutanehydrazide (PubChem CID 130965061) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound Name2-methoxy-3,3-dimethylbutanehydrazide
PubChem CID130965061
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-methoxy-3,3-dimethylbutanehydrazide
SMILESCOC(C(=O)NN)C(C)(C)C
InChIInChI=1S/C7H16N2O2/c1-7(2,3)5(11-4)6(10)9-8/h5H,8H2,1-4H3,(H,9,10)
InChIKeyARFIVRTXTUSFFU-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3,3-dimethylbutanamide
CID 87392254
methyl 2-ethyl-4-methoxy-5,5-dimethyl-3-oxohexanoate
CID 116728082
2-methoxy-3,3-dimethyl-N-tritylbutanamide
CID 15309425
4-methoxy-5,5-dimethylhex-1-en-3-one
CID 116709713
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide
CID 135301717
6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
CID 116709581
5-methoxy-6,6-dimethyl-4-oxoheptanoic acid
CID 116728081
2-methoxy-N',3,3-trimethylbutanimidamide
CID 116732318
2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
CID 63584854
1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
CID 116709506
(2R)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 818715

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethylbutanehydrazide?
The IUPAC name of 2-methoxy-3,3-dimethylbutanehydrazide (CID 130965061) is 2-methoxy-3,3-dimethylbutanehydrazide.
What is the SMILES notation for 2-methoxy-3,3-dimethylbutanehydrazide?
The canonical SMILES for 2-methoxy-3,3-dimethylbutanehydrazide is COC(C(=O)NN)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethylbutanehydrazide?
The InChIKey is ARFIVRTXTUSFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,3)5(11-4)6(10)9-8/h5H,8H2,1-4H3,(H,9,10).
What are the key properties of 2-methoxy-3,3-dimethylbutanehydrazide?
2-methoxy-3,3-dimethylbutanehydrazide has a molecular weight of 160.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 130965061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).