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

C8H19N3O2 — CID 43457214

IUPAC3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCN(C)CC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-13-7-6-11(2)5-4-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyJUZTUGMRDHJTCW-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.09
Rot. Bonds7

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

3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 43457214) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID43457214
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCN(C)CC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-13-7-6-11(2)5-4-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyJUZTUGMRDHJTCW-UHFFFAOYSA-N
XLogP0.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.09
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

N'-hydroxy-3-(morpholin-4-yl)propanimidamide
CID 658263
N'-hydroxy-3-morpholin-4-ylpropanimidamide
CID 5787165
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide (CID 43457214) is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide is CCOCCN(C)CC/C(N)=N/O.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JUZTUGMRDHJTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-13-7-6-11(2)5-4-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide?
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 189.26 g/mol, XLogP of 0.09, 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'-hydroxypropanimidamide is sourced from PubChem (CID 43457214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).