N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide

C12H25N3O3 — CID 104762093

IUPACN'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
SMILESCOC1(CNCCC(C)(C)C(N)=NO)CCOC1
InChIInChI=1S/C12H25N3O3/c1-11(2,10(13)15-16)4-6-14-8-12(17-3)5-7-18-9-12/h14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyXKZLVQAYSZJMJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.54
Rot. Bonds7

About N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide (PubChem CID 104762093) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
PubChem CID104762093
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
SMILESCOC1(CNCCC(C)(C)C(N)=NO)CCOC1
InChIInChI=1S/C12H25N3O3/c1-11(2,10(13)15-16)4-6-14-8-12(17-3)5-7-18-9-12/h14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyXKZLVQAYSZJMJT-UHFFFAOYSA-N
XLogP0.54
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 103370159
N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide
CID 77061773
N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
CID 77061809
4-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062147
4-(1,4-dioxan-2-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062217
N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylamino)butanimidamide
CID 80714289
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
CID 104762095
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 104762096
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide (CID 104762093) is N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide is COC1(CNCCC(C)(C)C(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is XKZLVQAYSZJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-11(2,10(13)15-16)4-6-14-8-12(17-3)5-7-18-9-12/h14,16H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 259.35 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104762093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).