N'-(2,2-diethoxyethyl)methanediimine

C7H14N2O2 — CID 10749464

IUPACN'-(2,2-diethoxyethyl)methanediimine
SMILESCCOC(CN=C=N)OCC
InChIInChI=1S/C7H14N2O2/c1-3-10-7(11-4-2)5-9-6-8/h7-8H,3-5H2,1-2H3
InChIKeyBTEMNMAMFPCZKL-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds6

About N'-(2,2-diethoxyethyl)methanediimine

N'-(2,2-diethoxyethyl)methanediimine (PubChem CID 10749464) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-(2,2-diethoxyethyl)methanediimine.

Molecular Properties

Compound NameN'-(2,2-diethoxyethyl)methanediimine
PubChem CID10749464
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN'-(2,2-diethoxyethyl)methanediimine
SMILESCCOC(CN=C=N)OCC
InChIInChI=1S/C7H14N2O2/c1-3-10-7(11-4-2)5-9-6-8/h7-8H,3-5H2,1-2H3
InChIKeyBTEMNMAMFPCZKL-UHFFFAOYSA-N
XLogP1.14
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethoxyethyl)methanediimine?
The IUPAC name of N'-(2,2-diethoxyethyl)methanediimine (CID 10749464) is N'-(2,2-diethoxyethyl)methanediimine.
What is the SMILES notation for N'-(2,2-diethoxyethyl)methanediimine?
The canonical SMILES for N'-(2,2-diethoxyethyl)methanediimine is CCOC(CN=C=N)OCC.
What is the InChIKey of N'-(2,2-diethoxyethyl)methanediimine?
The InChIKey is BTEMNMAMFPCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-10-7(11-4-2)5-9-6-8/h7-8H,3-5H2,1-2H3.
What are the key properties of N'-(2,2-diethoxyethyl)methanediimine?
N'-(2,2-diethoxyethyl)methanediimine has a molecular weight of 158.20 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxyethyl)methanediimine is sourced from PubChem (CID 10749464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).