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

C8H19N3O3 — CID 60661910

IUPAC2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCOCCN(CCOC)CC(N)=NO
InChIInChI=1S/C8H19N3O3/c1-13-5-3-11(4-6-14-2)7-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyLIDAOQFBVNEJKX-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.67
Rot. Bonds8

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

2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 60661910) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
PubChem CID60661910
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCOCCN(CCOC)CC(N)=NO
InChIInChI=1S/C8H19N3O3/c1-13-5-3-11(4-6-14-2)7-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyLIDAOQFBVNEJKX-UHFFFAOYSA-N
XLogP-0.67
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.67
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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide (CID 60661910) is 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide is COCCN(CCOC)CC(N)=NO.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is LIDAOQFBVNEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-13-5-3-11(4-6-14-2)7-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide?
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 205.26 g/mol, XLogP of -0.67, 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'-hydroxyethanimidamide is sourced from PubChem (CID 60661910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).