N'-(1-methoxyethyl)-N-methylethane-1,2-diimine

C6H12N2O — CID 163808550

IUPACN'-(1-methoxyethyl)-N-methylethane-1,2-diimine
SMILESC/N=C/C=NC(C)OC
InChIInChI=1S/C6H12N2O/c1-6(9-3)8-5-4-7-2/h4-6H,1-3H3/b7-4+,8-5?
InChIKeyNLFRANVVFHFDOR-KPFNVLSRSA-N
MW128.17 g/mol
LogP0.75
Rot. Bonds3

About N'-(1-methoxyethyl)-N-methylethane-1,2-diimine

N'-(1-methoxyethyl)-N-methylethane-1,2-diimine (PubChem CID 163808550) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-(1-methoxyethyl)-N-methylethane-1,2-diimine.

Molecular Properties

Compound NameN'-(1-methoxyethyl)-N-methylethane-1,2-diimine
PubChem CID163808550
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-(1-methoxyethyl)-N-methylethane-1,2-diimine
SMILESC/N=C/C=NC(C)OC
InChIInChI=1S/C6H12N2O/c1-6(9-3)8-5-4-7-2/h4-6H,1-3H3/b7-4+,8-5?
InChIKeyNLFRANVVFHFDOR-KPFNVLSRSA-N
XLogP0.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N'-(1-methoxyethyl)-N-methylethane-1,2-diimine?
The IUPAC name of N'-(1-methoxyethyl)-N-methylethane-1,2-diimine (CID 163808550) is N'-(1-methoxyethyl)-N-methylethane-1,2-diimine.
What is the SMILES notation for N'-(1-methoxyethyl)-N-methylethane-1,2-diimine?
The canonical SMILES for N'-(1-methoxyethyl)-N-methylethane-1,2-diimine is C/N=C/C=NC(C)OC.
What is the InChIKey of N'-(1-methoxyethyl)-N-methylethane-1,2-diimine?
The InChIKey is NLFRANVVFHFDOR-KPFNVLSRSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9-3)8-5-4-7-2/h4-6H,1-3H3/b7-4+,8-5?.
What are the key properties of N'-(1-methoxyethyl)-N-methylethane-1,2-diimine?
N'-(1-methoxyethyl)-N-methylethane-1,2-diimine has a molecular weight of 128.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxyethyl)-N-methylethane-1,2-diimine is sourced from PubChem (CID 163808550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).