N-(2-ethenoxyethoxy)methanamine

C5H11NO2 — CID 59596547

IUPACN-(2-ethenoxyethoxy)methanamine
SMILESC=COCCONC
InChIInChI=1S/C5H11NO2/c1-3-7-4-5-8-6-2/h3,6H,1,4-5H2,2H3
InChIKeyJVKABYFVCOFJMU-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.30
Rot. Bonds5

About N-(2-ethenoxyethoxy)methanamine

N-(2-ethenoxyethoxy)methanamine (PubChem CID 59596547) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(2-ethenoxyethoxy)methanamine.

Molecular Properties

Compound NameN-(2-ethenoxyethoxy)methanamine
PubChem CID59596547
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(2-ethenoxyethoxy)methanamine
SMILESC=COCCONC
InChIInChI=1S/C5H11NO2/c1-3-7-4-5-8-6-2/h3,6H,1,4-5H2,2H3
InChIKeyJVKABYFVCOFJMU-UHFFFAOYSA-N
XLogP0.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-ethenoxyethoxy)methanamine?
The IUPAC name of N-(2-ethenoxyethoxy)methanamine (CID 59596547) is N-(2-ethenoxyethoxy)methanamine.
What is the SMILES notation for N-(2-ethenoxyethoxy)methanamine?
The canonical SMILES for N-(2-ethenoxyethoxy)methanamine is C=COCCONC.
What is the InChIKey of N-(2-ethenoxyethoxy)methanamine?
The InChIKey is JVKABYFVCOFJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-7-4-5-8-6-2/h3,6H,1,4-5H2,2H3.
What are the key properties of N-(2-ethenoxyethoxy)methanamine?
N-(2-ethenoxyethoxy)methanamine has a molecular weight of 117.15 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethoxy)methanamine is sourced from PubChem (CID 59596547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).