2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine

C9H19NO — CID 130459704

IUPAC2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine
SMILESCC(C)CC1(C)CCON1C
InChIInChI=1S/C9H19NO/c1-8(2)7-9(3)5-6-11-10(9)4/h8H,5-7H2,1-4H3
InChIKeyZHUSDZZGSHFXNZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.06
Rot. Bonds2

About 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine

2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine (PubChem CID 130459704) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine.

Molecular Properties

Compound Name2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine
PubChem CID130459704
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine
SMILESCC(C)CC1(C)CCON1C
InChIInChI=1S/C9H19NO/c1-8(2)7-9(3)5-6-11-10(9)4/h8H,5-7H2,1-4H3
InChIKeyZHUSDZZGSHFXNZ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine?
The IUPAC name of 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine (CID 130459704) is 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine.
What is the SMILES notation for 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine?
The canonical SMILES for 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine is CC(C)CC1(C)CCON1C.
What is the InChIKey of 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine?
The InChIKey is ZHUSDZZGSHFXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)7-9(3)5-6-11-10(9)4/h8H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine?
2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine is sourced from PubChem (CID 130459704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).