1,1-diethoxy-N,N'-dimethylethane-1,2-diamine

C8H20N2O2 — CID 174953685

IUPAC1,1-diethoxy-N,N'-dimethylethane-1,2-diamine
SMILESCCOC(CNC)(NC)OCC
InChIInChI=1S/C8H20N2O2/c1-5-11-8(10-4,7-9-3)12-6-2/h9-10H,5-7H2,1-4H3
InChIKeyFPXSOMUYJWMVQL-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.15
Rot. Bonds7

About 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine

1,1-diethoxy-N,N'-dimethylethane-1,2-diamine (PubChem CID 174953685) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1,1-diethoxy-N,N'-dimethylethane-1,2-diamine
PubChem CID174953685
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name1,1-diethoxy-N,N'-dimethylethane-1,2-diamine
SMILESCCOC(CNC)(NC)OCC
InChIInChI=1S/C8H20N2O2/c1-5-11-8(10-4,7-9-3)12-6-2/h9-10H,5-7H2,1-4H3
InChIKeyFPXSOMUYJWMVQL-UHFFFAOYSA-N
XLogP0.15
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine (CID 174953685) is 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine is CCOC(CNC)(NC)OCC.
What is the InChIKey of 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FPXSOMUYJWMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-5-11-8(10-4,7-9-3)12-6-2/h9-10H,5-7H2,1-4H3.
What are the key properties of 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine?
1,1-diethoxy-N,N'-dimethylethane-1,2-diamine has a molecular weight of 176.26 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 174953685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).