N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide

C8H18N2O3 — CID 106665827

IUPACN'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide
SMILESCOC(C)(C)CCOCC(N)=NO
InChIInChI=1S/C8H18N2O3/c1-8(2,12-3)4-5-13-6-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyXHDZZOYXPUUCSU-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds6

About N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide

N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide (PubChem CID 106665827) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide
PubChem CID106665827
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide
SMILESCOC(C)(C)CCOCC(N)=NO
InChIInChI=1S/C8H18N2O3/c1-8(2,12-3)4-5-13-6-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyXHDZZOYXPUUCSU-UHFFFAOYSA-N
XLogP0.56
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
CID 134299988
2-ethoxy-N'-hydroxyethanimidamide
CID 10582776
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
N'-hydroxy-2-(2-methylbutan-2-yloxy)ethanimidamide
CID 43128403
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
3-fluoro-N'-hydroxy-5-[(3-methoxy-3-methylbutoxy)methyl]benzenecarboximidamide
CID 106665828
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
CID 144530109

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide (CID 106665827) is N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide is COC(C)(C)CCOCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide?
The InChIKey is XHDZZOYXPUUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,12-3)4-5-13-6-7(9)10-11/h11H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide?
N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide has a molecular weight of 190.24 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide is sourced from PubChem (CID 106665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).