N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide

C9H21N3O2 — CID 77061827

IUPACN'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide
SMILESCOCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-9(2,8(10)12-13)4-5-11-6-7-14-3/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyOMDGLGQJXZFWPE-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.39
Rot. Bonds7

About N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide (PubChem CID 77061827) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide
PubChem CID77061827
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide
SMILESCOCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-9(2,8(10)12-13)4-5-11-6-7-14-3/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyOMDGLGQJXZFWPE-UHFFFAOYSA-N
XLogP0.39
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide (CID 77061827) is N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide is COCCNCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide?
The InChIKey is OMDGLGQJXZFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-9(2,8(10)12-13)4-5-11-6-7-14-3/h11,13H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).