3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C10H24N4O2 — CID 76994019

IUPAC3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)CCN(C)C
InChIInChI=1S/C10H24N4O2/c1-13(2)6-7-14(8-9-16-3)5-4-10(11)12-15/h15H,4-9H2,1-3H3,(H2,11,12)
InChIKeyZHQZBLWNEVUSNR-UHFFFAOYSA-N
MW232.33 g/mol
LogP-0.37
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76994019) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76994019
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)CCN(C)C
InChIInChI=1S/C10H24N4O2/c1-13(2)6-7-14(8-9-16-3)5-4-10(11)12-15/h15H,4-9H2,1-3H3,(H2,11,12)
InChIKeyZHQZBLWNEVUSNR-UHFFFAOYSA-N
XLogP-0.37
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-0.37
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

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
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
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 76927657
3-[2,2-difluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76993822
N'-hydroxy-3-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76993945
N'-hydroxy-3-[2-methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 77047219
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 77100272
N'-hydroxy-2-[propyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
CID 77100286
N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100300

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 76994019) is 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZHQZBLWNEVUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-13(2)6-7-14(8-9-16-3)5-4-10(11)12-15/h15H,4-9H2,1-3H3,(H2,11,12).
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 232.33 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76994019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).