3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C9H21N3O2 — CID 76910844

IUPAC3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCOCCN(C)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-14-6-5-12(3)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyYVBNHUSLEDLASC-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.34
Rot. Bonds7

About 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910844) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910844
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCOCCN(C)CC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-14-6-5-12(3)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyYVBNHUSLEDLASC-UHFFFAOYSA-N
XLogP0.34
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910844) is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCOCCN(C)CC(C)C(N)=NO.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is YVBNHUSLEDLASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-14-6-5-12(3)7-8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).