2,2-diethoxy-N'-hydroxyethanimidamide

C6H14N2O3 — CID 40607073

IUPAC2,2-diethoxy-N'-hydroxyethanimidamide
SMILESCCOC(OCC)/C(N)=N/O
InChIInChI=1S/C6H14N2O3/c1-3-10-6(11-4-2)5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJHBUYPKAJTULGX-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.13
Rot. Bonds5

About 2,2-diethoxy-N'-hydroxyethanimidamide

2,2-diethoxy-N'-hydroxyethanimidamide (PubChem CID 40607073) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,2-diethoxy-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2,2-diethoxy-N'-hydroxyethanimidamide
PubChem CID40607073
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2,2-diethoxy-N'-hydroxyethanimidamide
SMILESCCOC(OCC)/C(N)=N/O
InChIInChI=1S/C6H14N2O3/c1-3-10-6(11-4-2)5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJHBUYPKAJTULGX-UHFFFAOYSA-N
XLogP0.13
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

ethyl 4-amino-4-hydroxyimino-3-methylbutanoate
CID 173470343
2-amino-N'-hydroxybutanimidamide
CID 14024494
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
N'-amino-2-ethoxy-3-methylbutanimidamide
CID 104893162
2-ethoxy-2-methoxyacetamide
CID 54503538
2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
CID 116732358
N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
CID 103939505
N'-hydroxy-2-methoxypropanimidamide
CID 72581636
N',2-dihydroxypropanimidamide
CID 5063567
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
CID 116732335

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N'-hydroxyethanimidamide?
The IUPAC name of 2,2-diethoxy-N'-hydroxyethanimidamide (CID 40607073) is 2,2-diethoxy-N'-hydroxyethanimidamide.
What is the SMILES notation for 2,2-diethoxy-N'-hydroxyethanimidamide?
The canonical SMILES for 2,2-diethoxy-N'-hydroxyethanimidamide is CCOC(OCC)/C(N)=N/O.
What is the InChIKey of 2,2-diethoxy-N'-hydroxyethanimidamide?
The InChIKey is JHBUYPKAJTULGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-3-10-6(11-4-2)5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2,2-diethoxy-N'-hydroxyethanimidamide?
2,2-diethoxy-N'-hydroxyethanimidamide has a molecular weight of 162.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N'-hydroxyethanimidamide is sourced from PubChem (CID 40607073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).