2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium

C7H16NO2+ — CID 7219875

IUPAC2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
SMILES[NH3+]CCOC[C@H]1CCCO1
InChIInChI=1S/C7H15NO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6,8H2/p+1/t7-/m1/s1
InChIKeyVGFPQGITBRBQAN-SSDOTTSWSA-O
MW146.21 g/mol
LogP-0.58
Rot. Bonds4

About 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium

2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium (PubChem CID 7219875) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
PubChem CID7219875
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
SMILES[NH3+]CCOC[C@H]1CCCO1
InChIInChI=1S/C7H15NO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6,8H2/p+1/t7-/m1/s1
InChIKeyVGFPQGITBRBQAN-SSDOTTSWSA-O
XLogP-0.58
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium (CID 7219875) is 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium is [NH3+]CCOC[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium?
The InChIKey is VGFPQGITBRBQAN-SSDOTTSWSA-O. The full InChI is InChI=1S/C7H15NO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6,8H2/p+1/t7-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium?
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium has a molecular weight of 146.21 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium is sourced from PubChem (CID 7219875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).