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

C7H18N2O — CID 20666590

IUPAC3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)C
InChIInChI=1S/C7H18N2O/c1-8-7(6-10-4)5-9(2)3/h7-8H,5-6H2,1-4H3
InChIKeyHNKLOFRPDDOZSD-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.22
Rot. Bonds5

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

3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 20666590) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID20666590
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)C
InChIInChI=1S/C7H18N2O/c1-8-7(6-10-4)5-9(2)3/h7-8H,5-6H2,1-4H3
InChIKeyHNKLOFRPDDOZSD-UHFFFAOYSA-N
XLogP-0.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-N,1-N,2-N-trimethylpropane-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,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 20666590) is 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CNC(COC)CN(C)C.
What is the InChIKey of 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is HNKLOFRPDDOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-8-7(6-10-4)5-9(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 20666590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).