6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol

C12H25NO3 — CID 67573367

IUPAC6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol
SMILESCCC1CC(C)(O)C(N(C)CCO)C(C)O1
InChIInChI=1S/C12H25NO3/c1-5-10-8-12(3,15)11(9(2)16-10)13(4)6-7-14/h9-11,14-15H,5-8H2,1-4H3
InChIKeyAZZSOQUORUCZGK-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.62
Rot. Bonds4

About 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol

6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol (PubChem CID 67573367) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol.

Molecular Properties

Compound Name6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol
PubChem CID67573367
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol
SMILESCCC1CC(C)(O)C(N(C)CCO)C(C)O1
InChIInChI=1S/C12H25NO3/c1-5-10-8-12(3,15)11(9(2)16-10)13(4)6-7-14/h9-11,14-15H,5-8H2,1-4H3
InChIKeyAZZSOQUORUCZGK-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol?
The IUPAC name of 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol (CID 67573367) is 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol.
What is the SMILES notation for 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol?
The canonical SMILES for 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol is CCC1CC(C)(O)C(N(C)CCO)C(C)O1.
What is the InChIKey of 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol?
The InChIKey is AZZSOQUORUCZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-10-8-12(3,15)11(9(2)16-10)13(4)6-7-14/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol?
6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol has a molecular weight of 231.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-hydroxyethyl(methyl)amino]-2,4-dimethyloxan-4-ol is sourced from PubChem (CID 67573367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).