3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol

C8H20N2O2 — CID 64825404

IUPAC3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN(C)CCOC
InChIInChI=1S/C8H20N2O2/c1-9-8(7-11)6-10(2)4-5-12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyIVIFWDHJEKENMA-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.86
Rot. Bonds7

About 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol

3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol (PubChem CID 64825404) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
PubChem CID64825404
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN(C)CCOC
InChIInChI=1S/C8H20N2O2/c1-9-8(7-11)6-10(2)4-5-12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyIVIFWDHJEKENMA-UHFFFAOYSA-N
XLogP-0.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol (CID 64825404) is 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol is CNC(CO)CN(C)CCOC.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol?
The InChIKey is IVIFWDHJEKENMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-9-8(7-11)6-10(2)4-5-12-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol?
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64825404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).