3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

C11H23NO — CID 4199499

IUPAC3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCN1CCOC1(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-8-9-13-11(12,4)7-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyLIKGLDATLCWEDN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds4

About 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 4199499) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID4199499
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCN1CCOC1(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-8-9-13-11(12,4)7-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyLIKGLDATLCWEDN-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 4199499) is 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is CCN1CCOC1(C)CCC(C)C.
What is the InChIKey of 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is LIKGLDATLCWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-8-9-13-11(12,4)7-6-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 4199499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).