2,2,5-trimethyl-3-propyl-1,3-oxazolidine

C9H19NO — CID 537424

IUPAC2,2,5-trimethyl-3-propyl-1,3-oxazolidine
SMILESCCCN1CC(C)OC1(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-7-8(2)11-9(10,3)4/h8H,5-7H2,1-4H3
InChIKeyHVGFNYDGEJTXLE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.85
Rot. Bonds2

About 2,2,5-trimethyl-3-propyl-1,3-oxazolidine

2,2,5-trimethyl-3-propyl-1,3-oxazolidine (PubChem CID 537424) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-propyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2,5-trimethyl-3-propyl-1,3-oxazolidine
PubChem CID537424
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,5-trimethyl-3-propyl-1,3-oxazolidine
SMILESCCCN1CC(C)OC1(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-7-8(2)11-9(10,3)4/h8H,5-7H2,1-4H3
InChIKeyHVGFNYDGEJTXLE-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-propyl-1,3-oxazolidine?
The IUPAC name of 2,2,5-trimethyl-3-propyl-1,3-oxazolidine (CID 537424) is 2,2,5-trimethyl-3-propyl-1,3-oxazolidine.
What is the SMILES notation for 2,2,5-trimethyl-3-propyl-1,3-oxazolidine?
The canonical SMILES for 2,2,5-trimethyl-3-propyl-1,3-oxazolidine is CCCN1CC(C)OC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-3-propyl-1,3-oxazolidine?
The InChIKey is HVGFNYDGEJTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-10-7-8(2)11-9(10,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-3-propyl-1,3-oxazolidine?
2,2,5-trimethyl-3-propyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-propyl-1,3-oxazolidine is sourced from PubChem (CID 537424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).