N-(2-methoxyethoxy)oxetan-3-amine

C6H13NO3 — CID 82711796

IUPACN-(2-methoxyethoxy)oxetan-3-amine
SMILESCOCCONC1COC1
InChIInChI=1S/C6H13NO3/c1-8-2-3-10-7-6-4-9-5-6/h6-7H,2-5H2,1H3
InChIKeyWQRXFBKESHIZSJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.45
Rot. Bonds5

About N-(2-methoxyethoxy)oxetan-3-amine

N-(2-methoxyethoxy)oxetan-3-amine (PubChem CID 82711796) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(2-methoxyethoxy)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)oxetan-3-amine
PubChem CID82711796
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(2-methoxyethoxy)oxetan-3-amine
SMILESCOCCONC1COC1
InChIInChI=1S/C6H13NO3/c1-8-2-3-10-7-6-4-9-5-6/h6-7H,2-5H2,1H3
InChIKeyWQRXFBKESHIZSJ-UHFFFAOYSA-N
XLogP-0.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethoxy)oxetan-3-amine?
The IUPAC name of N-(2-methoxyethoxy)oxetan-3-amine (CID 82711796) is N-(2-methoxyethoxy)oxetan-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)oxetan-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)oxetan-3-amine is COCCONC1COC1.
What is the InChIKey of N-(2-methoxyethoxy)oxetan-3-amine?
The InChIKey is WQRXFBKESHIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-8-2-3-10-7-6-4-9-5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(2-methoxyethoxy)oxetan-3-amine?
N-(2-methoxyethoxy)oxetan-3-amine has a molecular weight of 147.17 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)oxetan-3-amine is sourced from PubChem (CID 82711796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).