4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C12H27N3O3 — CID 77062994

IUPAC4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCOCCN(CCOC)CCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-12(2,11(13)14-16)5-6-15(7-9-17-3)8-10-18-4/h16H,5-10H2,1-4H3,(H2,13,14)
InChIKeyCBEGUCBNDFYMRH-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.74
Rot. Bonds10

About 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062994) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062994
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCOCCN(CCOC)CCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-12(2,11(13)14-16)5-6-15(7-9-17-3)8-10-18-4/h16H,5-10H2,1-4H3,(H2,13,14)
InChIKeyCBEGUCBNDFYMRH-UHFFFAOYSA-N
XLogP0.74
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104861776
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062294
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062077
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062994) is 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is COCCN(CCOC)CCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is CBEGUCBNDFYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-12(2,11(13)14-16)5-6-15(7-9-17-3)8-10-18-4/h16H,5-10H2,1-4H3,(H2,13,14).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 261.37 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).