3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol

C134H265F3N8O12S2 — CID 165021186

IUPAC3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol
SMILESCC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(CC(C)(C)C)C1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1.CC(C)(C)CC1(C)COC1.CC(C)(C)CC1(C)CS(=O)(=O)C1.CC(C)(C)CC1(C)CSC1.CC(C)(C)CC1(CO)COC1.CC(C)(C)CC1CNC1
InChIInChI=1S/C11H20F3N.C11H21NO.C10H19NO.2C9H17NO.C9H19N.C9H18O2S.C9H18O2.2C9H18O.C9H18S.C8H17N.C8H16O.C7H15N.C7H14O/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-8(12)11-6-9(7-11)5-10(2,3)4;2*1-7(11)10-5-8(6-10)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-12(10,11)7-9;1-8(2,3)4-9(5-10)6-11-7-9;1-8(2,3)5-9(4)6-10-7-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-10-7-9;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-5-6/h9H,4-8H2,1-3H3;10H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8H,5-6H2,1-4H3;8,10H,4-7H2,1-3H3;5-7H2,1-4H3;10H,4-7H2,1-3H3;5-7H2,1-4H3;8H,4-7H2,1-3H3;5-7H2,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLEMQXBLMMMZBMA-UHFFFAOYSA-N
MW2301.77 g/mol
LogP30.58
Rot. Bonds8

About 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol

3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol (PubChem CID 165021186) has the molecular formula C134H265F3N8O12S2 and a molecular weight of 2301.77 g/mol. Its IUPAC name is 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol
PubChem CID165021186
Molecular FormulaC134H265F3N8O12S2
Molecular Weight2301.77 g/mol
Exact Mass2299.98
IUPAC Name3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol
SMILESCC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(CC(C)(C)C)C1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1.CC(C)(C)CC1(C)COC1.CC(C)(C)CC1(C)CS(=O)(=O)C1.CC(C)(C)CC1(C)CSC1.CC(C)(C)CC1(CO)COC1.CC(C)(C)CC1CNC1
InChIInChI=1S/C11H20F3N.C11H21NO.C10H19NO.2C9H17NO.C9H19N.C9H18O2S.C9H18O2.2C9H18O.C9H18S.C8H17N.C8H16O.C7H15N.C7H14O/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-8(12)11-6-9(7-11)5-10(2,3)4;2*1-7(11)10-5-8(6-10)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-12(10,11)7-9;1-8(2,3)4-9(5-10)6-11-7-9;1-8(2,3)5-9(4)6-10-7-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-10-7-9;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-5-6/h9H,4-8H2,1-3H3;10H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8H,5-6H2,1-4H3;8,10H,4-7H2,1-3H3;5-7H2,1-4H3;10H,4-7H2,1-3H3;5-7H2,1-4H3;8H,4-7H2,1-3H3;5-7H2,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLEMQXBLMMMZBMA-UHFFFAOYSA-N
XLogP30.58
TPSA221.09 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.77
LogP ≤ 530.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol with MolForge

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Related Compounds

4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide
CID 165000180
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;3-tert-butyloxetane;1-(4-tert-butylpiperidin-1-yl)ethanone;2,2-dimethylpropane;2,2-dimethylpropanenitrile;1-methoxy-3,3-dimethylbutane;2-methyl-2-methylsulfonylpropane;3,3,4,4-tetramethylpentan-2-one
CID 160913129
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
CID 167606183
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol?
The IUPAC name of 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol (CID 165021186) is 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol.
What is the SMILES notation for 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol?
The canonical SMILES for 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol is CC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(C(C)(C)C)C1.CC(=O)N1CC(CC(C)(C)C)C1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CC(F)(F)F)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1.CC(C)(C)CC1(C)COC1.CC(C)(C)CC1(C)CS(=O)(=O)C1.CC(C)(C)CC1(C)CSC1.CC(C)(C)CC1(CO)COC1.CC(C)(C)CC1CNC1.
What is the InChIKey of 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol?
The InChIKey is LEMQXBLMMMZBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N.C11H21NO.C10H19NO.2C9H17NO.C9H19N.C9H18O2S.C9H18O2.2C9H18O.C9H18S.C8H17N.C8H16O.C7H15N.C7H14O/c1-10(2,3)9-4-6-15(7-5-9)8-11(12,13)14;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-8(12)11-6-9(7-11)5-10(2,3)4;2*1-7(11)10-5-8(6-10)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-12(10,11)7-9;1-8(2,3)4-9(5-10)6-11-7-9;1-8(2,3)5-9(4)6-10-7-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)5-9(4)6-10-7-9;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-5-6/h9H,4-8H2,1-3H3;10H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8H,5-6H2,1-4H3;8,10H,4-7H2,1-3H3;5-7H2,1-4H3;10H,4-7H2,1-3H3;5-7H2,1-4H3;8H,4-7H2,1-3H3;5-7H2,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol?
3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol has a molecular weight of 2301.77 g/mol, XLogP of 30.58, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylazetidine;bis(1-(3-tert-butylazetidin-1-yl)ethanone);4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;3-(2,2-dimethylpropyl)azetidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;3-(2,2-dimethylpropyl)-3-methyloxetane;3-(2,2-dimethylpropyl)-3-methylthietane;3-(2,2-dimethylpropyl)-3-methylthietane 1,1-dioxide;[3-(2,2-dimethylpropyl)oxetan-3-yl]methanol is sourced from PubChem (CID 165021186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).