1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol

C14H28N2O2 — CID 79933882

IUPAC1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
SMILESCNC1C(CN2CCC(O)C2)C(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2)11(9-16-7-6-10(17)8-16)12(15-5)14(3,4)18-13/h10-12,15,17H,6-9H2,1-5H3
InChIKeyGPTJRNLLARRQON-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.84
Rot. Bonds3

About 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol

1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 79933882) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
PubChem CID79933882
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
SMILESCNC1C(CN2CCC(O)C2)C(C)(C)OC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2)11(9-16-7-6-10(17)8-16)12(15-5)14(3,4)18-13/h10-12,15,17H,6-9H2,1-5H3
InChIKeyGPTJRNLLARRQON-UHFFFAOYSA-N
XLogP0.84
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115967284
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-3-ol
CID 79933676
N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 79933879
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 82751941
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-ol
CID 79867046
2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 79913080
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912796
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]-4-methylpiperidin-4-ol
CID 81097682
N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
CID 102886586
4-[(4-methoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929054
N-ethyl-2,2,5,5-tetramethyl-4-[(2-methylmorpholin-4-yl)methyl]oxolan-3-amine
CID 79933538
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79914809

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol (CID 79933882) is 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol is CNC1C(CN2CCC(O)C2)C(C)(C)OC1(C)C.
What is the InChIKey of 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is GPTJRNLLARRQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)11(9-16-7-6-10(17)8-16)12(15-5)14(3,4)18-13/h10-12,15,17H,6-9H2,1-5H3.
What are the key properties of 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol?
1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 256.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79933882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).