2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol

C13H29NO2 — CID 81418454

IUPAC2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol
SMILESCCC(O)(CC)CNCC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-5-12(6-2,11-15)9-14-10-13(16,7-3)8-4/h14-16H,5-11H2,1-4H3
InChIKeyMTLYIBSJLAPLLA-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.93
Rot. Bonds9

About 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol (PubChem CID 81418454) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol
PubChem CID81418454
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol
SMILESCCC(O)(CC)CNCC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-5-12(6-2,11-15)9-14-10-13(16,7-3)8-4/h14-16H,5-11H2,1-4H3
InChIKeyMTLYIBSJLAPLLA-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol (CID 81418454) is 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol is CCC(O)(CC)CNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol?
The InChIKey is MTLYIBSJLAPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-12(6-2,11-15)9-14-10-13(16,7-3)8-4/h14-16H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81418454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).