2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol

C9H21NO2 — CID 62272245

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)CCO
InChIInChI=1S/C9H21NO2/c1-4-9(2,8-12)7-10(3)5-6-11/h11-12H,4-8H2,1-3H3
InChIKeyBAQBEEPHTBECID-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds6

About 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol

2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 62272245) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol
PubChem CID62272245
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)CCO
InChIInChI=1S/C9H21NO2/c1-4-9(2,8-12)7-10(3)5-6-11/h11-12H,4-8H2,1-3H3
InChIKeyBAQBEEPHTBECID-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol (CID 62272245) is 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN(C)CCO.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is BAQBEEPHTBECID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-9(2,8-12)7-10(3)5-6-11/h11-12H,4-8H2,1-3H3.
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol?
2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 62272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).