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

C68H141N3O7S — CID 160913129

IUPAC4-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
SMILESCC(=O)C(C)(C)C(C)(C)C.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C.CC(C)(C)C#N.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)S(C)(=O)=O.CN1CCC(C(C)(C)C)CC1.COCCC(C)(C)C
InChIInChI=1S/C11H21NO.C10H21N.2C9H18O.C7H14O.C7H16O.C5H9N.C5H12O2S.C5H12/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-4-6-10-7-5-8;1-7(10)9(5,6)8(2,3)4;1-7(2,3)6-4-8-5-6;1-7(2,3)5-6-8-4;1-5(2,3)4-6;1-5(2,3)8(4,6)7;1-5(2,3)4/h10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;1-6H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;1-3H3;1-4H3;1-4H3
InChIKeySRBBJDIHBLGXIO-UHFFFAOYSA-N
MW1144.96 g/mol
LogP17.96
Rot. Bonds3

About 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

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 (PubChem CID 160913129) has the molecular formula C68H141N3O7S and a molecular weight of 1144.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160913129
Molecular FormulaC68H141N3O7S
Molecular Weight1144.96 g/mol
Exact Mass1144.05
IUPAC Name4-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
SMILESCC(=O)C(C)(C)C(C)(C)C.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C.CC(C)(C)C#N.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)S(C)(=O)=O.CN1CCC(C(C)(C)C)CC1.COCCC(C)(C)C
InChIInChI=1S/C11H21NO.C10H21N.2C9H18O.C7H14O.C7H16O.C5H9N.C5H12O2S.C5H12/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-4-6-10-7-5-8;1-7(10)9(5,6)8(2,3)4;1-7(2,3)6-4-8-5-6;1-7(2,3)5-6-8-4;1-5(2,3)4-6;1-5(2,3)8(4,6)7;1-5(2,3)4/h10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;1-6H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;1-3H3;1-4H3;1-4H3
InChIKeySRBBJDIHBLGXIO-UHFFFAOYSA-N
XLogP17.96
TPSA126.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.96
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
4-tert-butyloxane;4-tert-butyloxepane;3-tert-butyloxetane;3-tert-butyloxolane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 158021151
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
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
tert-butylcyclohexane;4-tert-butyloxane;4,4-dimethylpentanenitrile;methane
CID 157213296
bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
4-tert-butyloxane;3-tert-butyloxetane;ethane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 162123422
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
tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine
CID 160825917
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
CID 106255019
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(C)(C)C(C)(C)C.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C.CC(C)(C)C#N.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)S(C)(=O)=O.CN1CCC(C(C)(C)C)CC1.COCCC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is SRBBJDIHBLGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C10H21N.2C9H18O.C7H14O.C7H16O.C5H9N.C5H12O2S.C5H12/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-4-6-10-7-5-8;1-7(10)9(5,6)8(2,3)4;1-7(2,3)6-4-8-5-6;1-7(2,3)5-6-8-4;1-5(2,3)4-6;1-5(2,3)8(4,6)7;1-5(2,3)4/h10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;1-6H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;1-3H3;1-4H3;1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1144.96 g/mol, XLogP of 17.96, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).