N-(2-ethoxyethyl)methanimine

C5H11NO — CID 118258620

IUPACN-(2-ethoxyethyl)methanimine
SMILESC=NCCOCC
InChIInChI=1S/C5H11NO/c1-3-7-5-4-6-2/h2-5H2,1H3
InChIKeyBTLBZNVABDIQNH-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.72
Rot. Bonds4

About N-(2-ethoxyethyl)methanimine

N-(2-ethoxyethyl)methanimine (PubChem CID 118258620) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-(2-ethoxyethyl)methanimine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)methanimine
PubChem CID118258620
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-(2-ethoxyethyl)methanimine
SMILESC=NCCOCC
InChIInChI=1S/C5H11NO/c1-3-7-5-4-6-2/h2-5H2,1H3
InChIKeyBTLBZNVABDIQNH-UHFFFAOYSA-N
XLogP0.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-diethoxyethane;ethene
CID 158825770
N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine
CID 165402084
1,2-diethoxyethane;hydrofluoride
CID 175535770
N'-(2-ethoxyethyl)ethanimidamide
CID 63173013
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
sodium;1,2-diethoxyethane;hydride
CID 174903036
1,2-diethoxyethane;ethenamine
CID 160675526
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
1-ethoxypropane;methane
CID 158784820
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
diethoxysilylmethyl(2-ethoxyethyl)diazene
CID 167582363

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)methanimine?
The IUPAC name of N-(2-ethoxyethyl)methanimine (CID 118258620) is N-(2-ethoxyethyl)methanimine.
What is the SMILES notation for N-(2-ethoxyethyl)methanimine?
The canonical SMILES for N-(2-ethoxyethyl)methanimine is C=NCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)methanimine?
The InChIKey is BTLBZNVABDIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-7-5-4-6-2/h2-5H2,1H3.
What are the key properties of N-(2-ethoxyethyl)methanimine?
N-(2-ethoxyethyl)methanimine has a molecular weight of 101.15 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)methanimine is sourced from PubChem (CID 118258620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).