3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine

C10H21NO — CID 139692213

IUPAC3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCN1CC(C)OC1(C)C(C)C
InChIInChI=1S/C10H21NO/c1-6-11-7-9(4)12-10(11,5)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyVQPHFLMKVQZLHE-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds2

About 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine

3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine (PubChem CID 139692213) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine
PubChem CID139692213
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCN1CC(C)OC1(C)C(C)C
InChIInChI=1S/C10H21NO/c1-6-11-7-9(4)12-10(11,5)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyVQPHFLMKVQZLHE-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine (CID 139692213) is 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine is CCN1CC(C)OC1(C)C(C)C.
What is the InChIKey of 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is VQPHFLMKVQZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-11-7-9(4)12-10(11,5)8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine?
3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyl-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 139692213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).