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

C13H26N2O — CID 117228888

IUPAC5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
SMILESCC(C)N1CCCC1CC1NCC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-10(2)15-7-5-6-11(15)8-12-14-9-13(3,4)16-12/h10-12,14H,5-9H2,1-4H3
InChIKeyKWIDNHRFOUAWPY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.97
Rot. Bonds3

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

5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine (PubChem CID 117228888) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
PubChem CID117228888
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
SMILESCC(C)N1CCCC1CC1NCC(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-10(2)15-7-5-6-11(15)8-12-14-9-13(3,4)16-12/h10-12,14H,5-9H2,1-4H3
InChIKeyKWIDNHRFOUAWPY-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225706
2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine
CID 117269728
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
5,5-dimethyl-2-(piperidin-3-ylmethyl)-1,3-oxazolidine
CID 117228935
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
CID 167152246
4-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228758
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine (CID 117228888) is 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine is CC(C)N1CCCC1CC1NCC(C)(C)O1.
What is the InChIKey of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The InChIKey is KWIDNHRFOUAWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15-7-5-6-11(15)8-12-14-9-13(3,4)16-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).