2-(2-methoxyethyl)-N-methylbut-2-en-1-imine

C8H15NO — CID 123903200

IUPAC2-(2-methoxyethyl)-N-methylbut-2-en-1-imine
SMILESCC=C(/C=N/C)CCOC
InChIInChI=1S/C8H15NO/c1-4-8(7-9-2)5-6-10-3/h4,7H,5-6H2,1-3H3/b8-4?,9-7+
InChIKeyDWTBDVLFNVGKOZ-PUWXTNMLSA-N
MW141.21 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine

2-(2-methoxyethyl)-N-methylbut-2-en-1-imine (PubChem CID 123903200) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-methylbut-2-en-1-imine
PubChem CID123903200
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(2-methoxyethyl)-N-methylbut-2-en-1-imine
SMILESCC=C(/C=N/C)CCOC
InChIInChI=1S/C8H15NO/c1-4-8(7-9-2)5-6-10-3/h4,7H,5-6H2,1-3H3/b8-4?,9-7+
InChIKeyDWTBDVLFNVGKOZ-PUWXTNMLSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine?
The IUPAC name of 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine (CID 123903200) is 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine.
What is the SMILES notation for 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine?
The canonical SMILES for 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine is CC=C(/C=N/C)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine?
The InChIKey is DWTBDVLFNVGKOZ-PUWXTNMLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(7-9-2)5-6-10-3/h4,7H,5-6H2,1-3H3/b8-4?,9-7+.
What are the key properties of 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine?
2-(2-methoxyethyl)-N-methylbut-2-en-1-imine has a molecular weight of 141.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 123903200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).