tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate

C14H27NO3 — CID 171593485

IUPACtert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-10(2)11-8-15(9-14(6,7)17-11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyKVHFFEIBJGMDND-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate

tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate (PubChem CID 171593485) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
PubChem CID171593485
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-10(2)11-8-15(9-14(6,7)17-11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyKVHFFEIBJGMDND-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,6R)-2-(hydroxymethyl)-6-propan-2-ylmorpholine-4-carboxylate
CID 169228635
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 75448497
tert-butyl 3-(difluoromethyl)-4-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 156563341
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
CID 59605621
tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
CID 48713065
tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966
tert-butyl 6-hydroxy-3,3-dimethylazepane-1-carboxylate
CID 155258945
4-(difluoromethyl)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 156631330
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate (CID 171593485) is tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate is CC(C)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1.
What is the InChIKey of tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate?
The InChIKey is KVHFFEIBJGMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)11-8-15(9-14(6,7)17-11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate?
tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate is sourced from PubChem (CID 171593485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).