2-(2-nitrosoethoxymethoxy)ethanamine

C5H12N2O3 — CID 129066738

IUPAC2-(2-nitrosoethoxymethoxy)ethanamine
SMILESNCCOCOCCN=O
InChIInChI=1S/C5H12N2O3/c6-1-3-9-5-10-4-2-7-8/h1-6H2
InChIKeyYBVJFLPOSSZOLI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.30
Rot. Bonds7

About 2-(2-nitrosoethoxymethoxy)ethanamine

2-(2-nitrosoethoxymethoxy)ethanamine (PubChem CID 129066738) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2-nitrosoethoxymethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-nitrosoethoxymethoxy)ethanamine
PubChem CID129066738
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2-(2-nitrosoethoxymethoxy)ethanamine
SMILESNCCOCOCCN=O
InChIInChI=1S/C5H12N2O3/c6-1-3-9-5-10-4-2-7-8/h1-6H2
InChIKeyYBVJFLPOSSZOLI-UHFFFAOYSA-N
XLogP-0.30
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosoethoxymethoxy)ethanamine?
The IUPAC name of 2-(2-nitrosoethoxymethoxy)ethanamine (CID 129066738) is 2-(2-nitrosoethoxymethoxy)ethanamine.
What is the SMILES notation for 2-(2-nitrosoethoxymethoxy)ethanamine?
The canonical SMILES for 2-(2-nitrosoethoxymethoxy)ethanamine is NCCOCOCCN=O.
What is the InChIKey of 2-(2-nitrosoethoxymethoxy)ethanamine?
The InChIKey is YBVJFLPOSSZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c6-1-3-9-5-10-4-2-7-8/h1-6H2.
What are the key properties of 2-(2-nitrosoethoxymethoxy)ethanamine?
2-(2-nitrosoethoxymethoxy)ethanamine has a molecular weight of 148.16 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosoethoxymethoxy)ethanamine is sourced from PubChem (CID 129066738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).