1,2-diethoxyethane;ethenamine

C8H19NO2 — CID 160675526

IUPAC1,2-diethoxyethane;ethenamine
SMILESC=CN.CCOCCOCC
InChIInChI=1S/C6H14O2.C2H5N/c1-3-7-5-6-8-4-2;1-2-3/h3-6H2,1-2H3;2H,1,3H2
InChIKeyRNMANXCHFVQSJI-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.15
Rot. Bonds5

About 1,2-diethoxyethane;ethenamine

1,2-diethoxyethane;ethenamine (PubChem CID 160675526) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2-diethoxyethane;ethenamine.

Molecular Properties

Compound Name1,2-diethoxyethane;ethenamine
PubChem CID160675526
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1,2-diethoxyethane;ethenamine
SMILESC=CN.CCOCCOCC
InChIInChI=1S/C6H14O2.C2H5N/c1-3-7-5-6-8-4-2;1-2-3/h3-6H2,1-2H3;2H,1,3H2
InChIKeyRNMANXCHFVQSJI-UHFFFAOYSA-N
XLogP1.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethoxyethane;ethene
CID 158825770
1-ethenoxy-2-ethoxyethane
CID 14510945
1,2-diethoxyethane;hydrofluoride
CID 175535770
ethoxyethane;fluoroethene
CID 87329841
4-ethoxybut-1-ene
CID 533994
sodium;1,2-diethoxyethane;hydride
CID 174903036
1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
CID 87594792
CID 54538570
CID 54538570
buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
bis(2-ethoxyethyl)-prop-2-enylazanium chloride
CID 141168351

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyethane;ethenamine?
The IUPAC name of 1,2-diethoxyethane;ethenamine (CID 160675526) is 1,2-diethoxyethane;ethenamine.
What is the SMILES notation for 1,2-diethoxyethane;ethenamine?
The canonical SMILES for 1,2-diethoxyethane;ethenamine is C=CN.CCOCCOCC.
What is the InChIKey of 1,2-diethoxyethane;ethenamine?
The InChIKey is RNMANXCHFVQSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H5N/c1-3-7-5-6-8-4-2;1-2-3/h3-6H2,1-2H3;2H,1,3H2.
What are the key properties of 1,2-diethoxyethane;ethenamine?
1,2-diethoxyethane;ethenamine has a molecular weight of 161.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyethane;ethenamine is sourced from PubChem (CID 160675526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).