2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

C14H29NO2 — CID 114624352

IUPAC2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC(C)(C)NCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-12(2,3)15-9-11(16)10-8-13(4,5)17-14(10,6)7/h10-11,15-16H,8-9H2,1-7H3
InChIKeyYWOMAJUXLMKTDR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds3

About 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (PubChem CID 114624352) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
PubChem CID114624352
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC(C)(C)NCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-12(2,3)15-9-11(16)10-8-13(4,5)17-14(10,6)7/h10-11,15-16H,8-9H2,1-7H3
InChIKeyYWOMAJUXLMKTDR-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylamino)-1-(oxolan-3-yl)ethan-1-olhydrochloride
CID 165664422
1-(Oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 115890636
4-Methyl-1-(methylamino)-4-(3-methylbutoxy)hexan-2-ol
CID 89742042
5-(Hydroxymethyl)-6,6-dimethylpiperidin-3-ol
CID 144874088
2-[2-[[1-(Hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol
CID 167082215
3-[2-methyl-2-[[(3R)-oxolan-3-yl]methylamino]propoxy]-1-propan-2-ylcyclobutan-1-ol
CID 169666041
2-Pyrrolidin-3-ylbutane-1,3-diol
CID 23008899
2-Ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 61048772
2-(Oxolan-2-ylmethylamino)-2-propylpentan-1-ol
CID 61049174
2,5-Dimethyl-2-(oxolan-2-ylmethylamino)hexan-1-ol
CID 61049368
2,4-Dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
CID 61049371
2-Ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol
CID 61049372

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (CID 114624352) is 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is CC(C)(C)NCC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The InChIKey is YWOMAJUXLMKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2,3)15-9-11(16)10-8-13(4,5)17-14(10,6)7/h10-11,15-16H,8-9H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is sourced from PubChem (CID 114624352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).