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

C11H22N2O — CID 117228008

IUPAC4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
SMILESCN1CCCC1CC1NC(C)(C)CO1
InChIInChI=1S/C11H22N2O/c1-11(2)8-14-10(12-11)7-9-5-4-6-13(9)3/h9-10,12H,4-8H2,1-3H3
InChIKeyFLQMWOJBCVJHMA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds2

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

4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine (PubChem CID 117228008) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
PubChem CID117228008
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
SMILESCN1CCCC1CC1NC(C)(C)CO1
InChIInChI=1S/C11H22N2O/c1-11(2)8-14-10(12-11)7-9-5-4-6-13(9)3/h9-10,12H,4-8H2,1-3H3
InChIKeyFLQMWOJBCVJHMA-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
CID 117228036
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-(cyclobutylmethyl)-1-methylpyrrolidine
CID 162366300
4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227725
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
CID 82601495
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine (CID 117228008) is 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine is CN1CCCC1CC1NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
The InChIKey is FLQMWOJBCVJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)8-14-10(12-11)7-9-5-4-6-13(9)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine?
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine has a molecular weight of 198.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).