5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

C13H29N3O3 — CID 77063702

IUPAC5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCOCCN(CCCC(C)(C)C(N)=NO)CCOC
InChIInChI=1S/C13H29N3O3/c1-13(2,12(14)15-17)6-5-7-16(8-10-18-3)9-11-19-4/h17H,5-11H2,1-4H3,(H2,14,15)
InChIKeyJQSMKVMGRATBGL-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.13
Rot. Bonds11

About 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063702) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063702
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCOCCN(CCCC(C)(C)C(N)=NO)CCOC
InChIInChI=1S/C13H29N3O3/c1-13(2,12(14)15-17)6-5-7-16(8-10-18-3)9-11-19-4/h17H,5-11H2,1-4H3,(H2,14,15)
InChIKeyJQSMKVMGRATBGL-UHFFFAOYSA-N
XLogP1.13
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.13
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

4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062994
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063702) is 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is COCCN(CCCC(C)(C)C(N)=NO)CCOC.
What is the InChIKey of 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is JQSMKVMGRATBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-13(2,12(14)15-17)6-5-7-16(8-10-18-3)9-11-19-4/h17H,5-11H2,1-4H3,(H2,14,15).
What are the key properties of 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 275.39 g/mol, XLogP of 1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).