2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine

C13H26N2O — CID 117227640

IUPAC2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine
SMILESCC(C)N1CCC(C2(C)NC(C)(C)CO2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15-7-6-11(8-15)13(5)14-12(3,4)9-16-13/h10-11,14H,6-9H2,1-5H3
InChIKeyAIVMZNFCRJRNTR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds2

About 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine

2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine (PubChem CID 117227640) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine
PubChem CID117227640
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine
SMILESCC(C)N1CCC(C2(C)NC(C)(C)CO2)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15-7-6-11(8-15)13(5)14-12(3,4)9-16-13/h10-11,14H,6-9H2,1-5H3
InChIKeyAIVMZNFCRJRNTR-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2,4,4-trimethyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227695
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
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
2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride
CID 117226180
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226304
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
CID 155088145
N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
CID 117159042

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine (CID 117227640) is 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine is CC(C)N1CCC(C2(C)NC(C)(C)CO2)C1.
What is the InChIKey of 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine?
The InChIKey is AIVMZNFCRJRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15-7-6-11(8-15)13(5)14-12(3,4)9-16-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine?
2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.83, 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-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine is sourced from PubChem (CID 117227640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).