3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C6H16N2O — CID 58931565

IUPAC3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)NC
InChIInChI=1S/C6H16N2O/c1-7-4-6(8-2)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyIYYPNYXZUHTJNP-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds5

About 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 58931565) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID58931565
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)NC
InChIInChI=1S/C6H16N2O/c1-7-4-6(8-2)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyIYYPNYXZUHTJNP-UHFFFAOYSA-N
XLogP-0.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 58931565) is 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNCC(COC)NC.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is IYYPNYXZUHTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-7-4-6(8-2)5-9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 132.21 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 58931565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).