3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine

C12H28N2O3 — CID 62536650

IUPAC3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
SMILESCOCCN(C(C)COC)C(C)(CN)COC
InChIInChI=1S/C12H28N2O3/c1-11(8-16-4)14(6-7-15-3)12(2,9-13)10-17-5/h11H,6-10,13H2,1-5H3
InChIKeyPJEXWGHQPVCVPR-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.33
Rot. Bonds10

About 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine

3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine (PubChem CID 62536650) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
PubChem CID62536650
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
SMILESCOCCN(C(C)COC)C(C)(CN)COC
InChIInChI=1S/C12H28N2O3/c1-11(8-16-4)14(6-7-15-3)12(2,9-13)10-17-5/h11H,6-10,13H2,1-5H3
InChIKeyPJEXWGHQPVCVPR-UHFFFAOYSA-N
XLogP0.33
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine (CID 62536650) is 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine is COCCN(C(C)COC)C(C)(CN)COC.
What is the InChIKey of 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine?
The InChIKey is PJEXWGHQPVCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-11(8-16-4)14(6-7-15-3)12(2,9-13)10-17-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine?
3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 0.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 62536650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).