N,N'-dimethoxypropane-1,3-diimine

C5H10N2O2 — CID 54222085

IUPACN,N'-dimethoxypropane-1,3-diimine
SMILESCON=CCC=NOC
InChIInChI=1S/C5H10N2O2/c1-8-6-4-3-5-7-9-2/h4-5H,3H2,1-2H3
InChIKeyQDHRJAXDAURKRT-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.64
Rot. Bonds4

About N,N'-dimethoxypropane-1,3-diimine

N,N'-dimethoxypropane-1,3-diimine (PubChem CID 54222085) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is N,N'-dimethoxypropane-1,3-diimine.

Molecular Properties

Compound NameN,N'-dimethoxypropane-1,3-diimine
PubChem CID54222085
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC NameN,N'-dimethoxypropane-1,3-diimine
SMILESCON=CCC=NOC
InChIInChI=1S/C5H10N2O2/c1-8-6-4-3-5-7-9-2/h4-5H,3H2,1-2H3
InChIKeyQDHRJAXDAURKRT-UHFFFAOYSA-N
XLogP0.64
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethoxypropane-1,3-diimine?
The IUPAC name of N,N'-dimethoxypropane-1,3-diimine (CID 54222085) is N,N'-dimethoxypropane-1,3-diimine.
What is the SMILES notation for N,N'-dimethoxypropane-1,3-diimine?
The canonical SMILES for N,N'-dimethoxypropane-1,3-diimine is CON=CCC=NOC.
What is the InChIKey of N,N'-dimethoxypropane-1,3-diimine?
The InChIKey is QDHRJAXDAURKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-8-6-4-3-5-7-9-2/h4-5H,3H2,1-2H3.
What are the key properties of N,N'-dimethoxypropane-1,3-diimine?
N,N'-dimethoxypropane-1,3-diimine has a molecular weight of 130.15 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethoxypropane-1,3-diimine is sourced from PubChem (CID 54222085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).