2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol

C13H30N2O3 — CID 90766282

IUPAC2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol
SMILESCNCC(C)C(C)(CO)OCCC(C)(CO)NC
InChIInChI=1S/C13H30N2O3/c1-11(8-14-4)13(3,10-17)18-7-6-12(2,9-16)15-5/h11,14-17H,6-10H2,1-5H3
InChIKeyWWJVUDGXUJPKIS-UHFFFAOYSA-N
MW262.39 g/mol
LogP-0.03
Rot. Bonds10

About 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol

2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol (PubChem CID 90766282) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol
PubChem CID90766282
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol
SMILESCNCC(C)C(C)(CO)OCCC(C)(CO)NC
InChIInChI=1S/C13H30N2O3/c1-11(8-14-4)13(3,10-17)18-7-6-12(2,9-16)15-5/h11,14-17H,6-10H2,1-5H3
InChIKeyWWJVUDGXUJPKIS-UHFFFAOYSA-N
XLogP-0.03
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol?
The IUPAC name of 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol (CID 90766282) is 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol?
The canonical SMILES for 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol is CNCC(C)C(C)(CO)OCCC(C)(CO)NC.
What is the InChIKey of 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol?
The InChIKey is WWJVUDGXUJPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-11(8-14-4)13(3,10-17)18-7-6-12(2,9-16)15-5/h11,14-17H,6-10H2,1-5H3.
What are the key properties of 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol?
2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol has a molecular weight of 262.39 g/mol, XLogP of -0.03, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol is sourced from PubChem (CID 90766282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).