2-butan-2-yloxy-N'-hydroxyethanimidamide

C6H14N2O2 — CID 76883223

IUPAC2-butan-2-yloxy-N'-hydroxyethanimidamide
SMILESCCC(C)OCC(N)=NO
InChIInChI=1S/C6H14N2O2/c1-3-5(2)10-4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJBCINNQAJNEHGN-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.55
Rot. Bonds4

About 2-butan-2-yloxy-N'-hydroxyethanimidamide

2-butan-2-yloxy-N'-hydroxyethanimidamide (PubChem CID 76883223) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-butan-2-yloxy-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N'-hydroxyethanimidamide
PubChem CID76883223
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-butan-2-yloxy-N'-hydroxyethanimidamide
SMILESCCC(C)OCC(N)=NO
InChIInChI=1S/C6H14N2O2/c1-3-5(2)10-4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJBCINNQAJNEHGN-UHFFFAOYSA-N
XLogP0.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
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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Related Compounds

3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
2-butan-2-yloxyethanimidamide
CID 60902733
2-ethoxy-N'-hydroxyethanimidamide
CID 10582776
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
2-(butan-2-yloxymethyl)-3-chloroprop-1-ene
CID 103066077
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
N'-hydroxy-2-(2-methylbutan-2-yloxy)ethanimidamide
CID 43128403
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
1-butan-2-yloxypropan-2-one;hexane
CID 143012153
2-butan-2-yloxybutane;ethanol
CID 88614162

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N'-hydroxyethanimidamide?
The IUPAC name of 2-butan-2-yloxy-N'-hydroxyethanimidamide (CID 76883223) is 2-butan-2-yloxy-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-butan-2-yloxy-N'-hydroxyethanimidamide?
The canonical SMILES for 2-butan-2-yloxy-N'-hydroxyethanimidamide is CCC(C)OCC(N)=NO.
What is the InChIKey of 2-butan-2-yloxy-N'-hydroxyethanimidamide?
The InChIKey is JBCINNQAJNEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5(2)10-4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2-butan-2-yloxy-N'-hydroxyethanimidamide?
2-butan-2-yloxy-N'-hydroxyethanimidamide has a molecular weight of 146.19 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N'-hydroxyethanimidamide is sourced from PubChem (CID 76883223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).