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

C12H27N3O3 — CID 104861635

IUPACN'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide
SMILESCOCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-12(2,11(13)14-17)5-4-6-15(7-9-16)8-10-18-3/h16-17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyMQUBDHBRDFSOEF-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.48
Rot. Bonds10

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

N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 104861635) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID104861635
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide
SMILESCOCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-12(2,11(13)14-17)5-4-6-15(7-9-16)8-10-18-3/h16-17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyMQUBDHBRDFSOEF-UHFFFAOYSA-N
XLogP0.48
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide (CID 104861635) is N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide is COCCN(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is MQUBDHBRDFSOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-12(2,11(13)14-17)5-4-6-15(7-9-16)8-10-18-3/h16-17H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 261.37 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(2-methoxyethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104861635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).