2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol

C12H25NO2 — CID 82725348

IUPAC2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCOC1C
InChIInChI=1S/C12H25NO2/c1-4-12(5-2,9-14)8-13-11-6-7-15-10(11)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyXQSIZZVYFGXBPW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol (PubChem CID 82725348) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol
PubChem CID82725348
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCOC1C
InChIInChI=1S/C12H25NO2/c1-4-12(5-2,9-14)8-13-11-6-7-15-10(11)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyXQSIZZVYFGXBPW-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol (CID 82725348) is 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCOC1C.
What is the InChIKey of 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol?
The InChIKey is XQSIZZVYFGXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(5-2,9-14)8-13-11-6-7-15-10(11)3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 82725348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).