2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine

C12H24N2O — CID 117227736

IUPAC2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCN1CCC(CC2(C)NC(C)(C)CO2)C1
InChIInChI=1S/C12H24N2O/c1-11(2)9-15-12(3,13-11)7-10-5-6-14(4)8-10/h10,13H,5-9H2,1-4H3
InChIKeyUFJKRFFPUIUVEK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.44
Rot. Bonds2

About 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine

2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine (PubChem CID 117227736) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
PubChem CID117227736
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
SMILESCN1CCC(CC2(C)NC(C)(C)CO2)C1
InChIInChI=1S/C12H24N2O/c1-11(2)9-15-12(3,13-11)7-10-5-6-14(4)8-10/h10,13H,5-9H2,1-4H3
InChIKeyUFJKRFFPUIUVEK-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227791
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227787
2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228772
2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228013
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228618
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
1-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-ol
CID 115073598
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
3-ethyl-1-methylpyrrolidine;methane
CID 161184146

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine (CID 117227736) is 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine is CN1CCC(CC2(C)NC(C)(C)CO2)C1.
What is the InChIKey of 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
The InChIKey is UFJKRFFPUIUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)9-15-12(3,13-11)7-10-5-6-14(4)8-10/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine?
2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine has a molecular weight of 212.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117227736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).