2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine

C13H26N2O — CID 117228750

IUPAC2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCN(C(C)C)C2)O1
InChIInChI=1S/C13H26N2O/c1-10(2)15-6-5-12(9-15)7-13(4)14-8-11(3)16-13/h10-12,14H,5-9H2,1-4H3
InChIKeyRCHKLEZITAIRNQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds3

About 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine

2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine (PubChem CID 117228750) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
PubChem CID117228750
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCN(C(C)C)C2)O1
InChIInChI=1S/C13H26N2O/c1-10(2)15-6-5-12(9-15)7-13(4)14-8-11(3)16-13/h10-12,14H,5-9H2,1-4H3
InChIKeyRCHKLEZITAIRNQ-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228778
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228759
6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
CID 117159042
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226304
3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
CID 138459698

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine (CID 117228750) is 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine is CC1CNC(C)(CC2CCN(C(C)C)C2)O1.
What is the InChIKey of 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The InChIKey is RCHKLEZITAIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15-6-5-12(9-15)7-13(4)14-8-11(3)16-13/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).