1,1-dimethoxy-N,N'-dimethylmethanediamine

C5H14N2O2 — CID 55299872

IUPAC1,1-dimethoxy-N,N'-dimethylmethanediamine
SMILESCNC(NC)(OC)OC
InChIInChI=1S/C5H14N2O2/c1-6-5(7-2,8-3)9-4/h6-7H,1-4H3
InChIKeyOKXLGURKVGERTG-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.67
Rot. Bonds4

About 1,1-dimethoxy-N,N'-dimethylmethanediamine

1,1-dimethoxy-N,N'-dimethylmethanediamine (PubChem CID 55299872) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1,1-dimethoxy-N,N'-dimethylmethanediamine
PubChem CID55299872
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name1,1-dimethoxy-N,N'-dimethylmethanediamine
SMILESCNC(NC)(OC)OC
InChIInChI=1S/C5H14N2O2/c1-6-5(7-2,8-3)9-4/h6-7H,1-4H3
InChIKeyOKXLGURKVGERTG-UHFFFAOYSA-N
XLogP-0.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.67
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-dimethoxy-N,N'-dimethylmethanediamine?
The IUPAC name of 1,1-dimethoxy-N,N'-dimethylmethanediamine (CID 55299872) is 1,1-dimethoxy-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1,1-dimethoxy-N,N'-dimethylmethanediamine?
The canonical SMILES for 1,1-dimethoxy-N,N'-dimethylmethanediamine is CNC(NC)(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N,N'-dimethylmethanediamine?
The InChIKey is OKXLGURKVGERTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-6-5(7-2,8-3)9-4/h6-7H,1-4H3.
What are the key properties of 1,1-dimethoxy-N,N'-dimethylmethanediamine?
1,1-dimethoxy-N,N'-dimethylmethanediamine has a molecular weight of 134.18 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N'-dimethylmethanediamine is sourced from PubChem (CID 55299872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).