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

C6H16N2O — CID 55288178

IUPAC2-methoxy-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(CNC)OC
InChIInChI=1S/C6H16N2O/c1-7-4-6(9-3)5-8-2/h6-8H,4-5H2,1-3H3
InChIKeyCNMMETFHNCNZOB-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds5

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

2-methoxy-N,N'-dimethylpropane-1,3-diamine (PubChem CID 55288178) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-methoxy-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N,N'-dimethylpropane-1,3-diamine
PubChem CID55288178
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2-methoxy-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(CNC)OC
InChIInChI=1S/C6H16N2O/c1-7-4-6(9-3)5-8-2/h6-8H,4-5H2,1-3H3
InChIKeyCNMMETFHNCNZOB-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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-methoxy-N,N'-dimethylpropane-1,3-diamine (CID 55288178) is 2-methoxy-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-methoxy-N,N'-dimethylpropane-1,3-diamine is CNCC(CNC)OC.
What is the InChIKey of 2-methoxy-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is CNMMETFHNCNZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-7-4-6(9-3)5-8-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-N,N'-dimethylpropane-1,3-diamine?
2-methoxy-N,N'-dimethylpropane-1,3-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 2-methoxy-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 55288178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).