N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide

C9H21N3O3 — CID 104861629

IUPACN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide
SMILESCOCCN(CCO)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O3/c1-8(9(10)11-14)7-12(3-5-13)4-6-15-2/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIMLKGKLTLJNOLO-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.69
Rot. Bonds8

About N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide

N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide (PubChem CID 104861629) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide
PubChem CID104861629
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide
SMILESCOCCN(CCO)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O3/c1-8(9(10)11-14)7-12(3-5-13)4-6-15-2/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIMLKGKLTLJNOLO-UHFFFAOYSA-N
XLogP-0.69
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.69
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-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide (CID 104861629) is N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide is COCCN(CCO)CC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide?
The InChIKey is IMLKGKLTLJNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-8(9(10)11-14)7-12(3-5-13)4-6-15-2/h8,13-14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide has a molecular weight of 219.28 g/mol, XLogP of -0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 104861629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).