2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C9H21N3O3 — CID 76914953

IUPAC2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCOC)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O3/c1-8(9(10)11-13)12(4-6-14-2)5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyJFWKRVNKJNPIKB-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.28
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76914953) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76914953
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCOC)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O3/c1-8(9(10)11-13)12(4-6-14-2)5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyJFWKRVNKJNPIKB-UHFFFAOYSA-N
XLogP-0.28
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.28
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

N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]propanimidamide
CID 104861637
N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide
CID 114266354
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76915169
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915046
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104881692
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
2-[2-methoxyethyl(2-methylpropyl)amino]propanamide
CID 62901426
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 76914953) is 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCOC)C(C)C(N)=NO.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JFWKRVNKJNPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-8(9(10)11-13)12(4-6-14-2)5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 219.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76914953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).