N'-(2-methoxyethyl)oxolane-3-carboximidamide

C8H16N2O2 — CID 65329827

IUPACN'-(2-methoxyethyl)oxolane-3-carboximidamide
SMILESCOCC/N=C(\N)C1CCOC1
InChIInChI=1S/C8H16N2O2/c1-11-5-3-10-8(9)7-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyAUFURDQLCOHLOD-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.03
Rot. Bonds4

About N'-(2-methoxyethyl)oxolane-3-carboximidamide

N'-(2-methoxyethyl)oxolane-3-carboximidamide (PubChem CID 65329827) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-(2-methoxyethyl)oxolane-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)oxolane-3-carboximidamide
PubChem CID65329827
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-(2-methoxyethyl)oxolane-3-carboximidamide
SMILESCOCC/N=C(\N)C1CCOC1
InChIInChI=1S/C8H16N2O2/c1-11-5-3-10-8(9)7-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyAUFURDQLCOHLOD-UHFFFAOYSA-N
XLogP0.03
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)oxolane-3-carboximidamide?
The IUPAC name of N'-(2-methoxyethyl)oxolane-3-carboximidamide (CID 65329827) is N'-(2-methoxyethyl)oxolane-3-carboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)oxolane-3-carboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)oxolane-3-carboximidamide is COCC/N=C(\N)C1CCOC1.
What is the InChIKey of N'-(2-methoxyethyl)oxolane-3-carboximidamide?
The InChIKey is AUFURDQLCOHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-11-5-3-10-8(9)7-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-(2-methoxyethyl)oxolane-3-carboximidamide?
N'-(2-methoxyethyl)oxolane-3-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)oxolane-3-carboximidamide is sourced from PubChem (CID 65329827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).