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

C8H17N3O2 — CID 62542670

IUPACN-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide
SMILESCOCC/N=C(\NN)C1CCCO1
InChIInChI=1S/C8H17N3O2/c1-12-6-4-10-8(11-9)7-3-2-5-13-7/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyFVECLHMMYTXLMZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.33
Rot. Bonds4

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

N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide (PubChem CID 62542670) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide
PubChem CID62542670
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide
SMILESCOCC/N=C(\NN)C1CCCO1
InChIInChI=1S/C8H17N3O2/c1-12-6-4-10-8(11-9)7-3-2-5-13-7/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyFVECLHMMYTXLMZ-UHFFFAOYSA-N
XLogP-0.33
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide (CID 62542670) is N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide is COCC/N=C(\NN)C1CCCO1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide?
The InChIKey is FVECLHMMYTXLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-12-6-4-10-8(11-9)7-3-2-5-13-7/h7H,2-6,9H2,1H3,(H,10,11).
What are the key properties of N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide?
N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide has a molecular weight of 187.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide is sourced from PubChem (CID 62542670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).