2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C9H22N2O — CID 171517318

IUPAC2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCOCCN(C)C(C)CN(C)C
InChIInChI=1S/C9H22N2O/c1-9(8-10(2)3)11(4)6-7-12-5/h9H,6-8H2,1-5H3
InChIKeyANBPCGTXIRTIAF-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.51
Rot. Bonds6

About 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 171517318) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID171517318
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCOCCN(C)C(C)CN(C)C
InChIInChI=1S/C9H22N2O/c1-9(8-10(2)3)11(4)6-7-12-5/h9H,6-8H2,1-5H3
InChIKeyANBPCGTXIRTIAF-UHFFFAOYSA-N
XLogP0.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 171517318) is 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is COCCN(C)C(C)CN(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is ANBPCGTXIRTIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(8-10(2)3)11(4)6-7-12-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 171517318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).