4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))

C297H566F12N22O4W2 — CID 160709536

IUPAC4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))
SMILESC=C1CC(C(C)(C)C)CC(=O)N1C(C)(C)C.CC(C)(C)C1CC(C(F)(F)F)N(C(C)(C)C)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC(N(CCC#N)C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C(=O)C1.CC(C)(C)C1CCN(C(C)(C)C)C(C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)[C@H](C(F)(F)F)C1.CC(C)(C)C1COC(C(C)(C)C)OC1.CC(C)(C)N1CCC(C#N)(C(C)(C)C)CC1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)NC1(C#N)CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.C[C-](C)C.C[C-](C)C.C[C@@H]1CC(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CC(C(C)(C)C)CCN1C(C)(C)C.[C-]#[N+]C1(C(C)C)CCC(C(C)(C)C)CC1.[C-]#[N+]C[C-]1CCC(C(C)(C)C)CC1.[C-]#[N+][C-]1CCC(C(C)(C)C)CC1.[W+2].[W+2]
InChIInChI=1S/C17H32N2.C15H28N2.C15H29N.3C14H26F3N.C14H26N2.C14H25NO.5C14H29N.C14H25N.C14H22.C13H24F3N.C13H25NO.C13H27N.C12H20N.C12H24O2.C11H18N.2C4H9.2W/c1-16(2,3)14-8-10-15(11-9-14)19(13-7-12-18)17(4,5)6;1-13(2,3)12-7-9-15(11-16,10-8-12)17-14(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;3*1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17;1-12(2,3)14(11-15)7-9-16(10-8-14)13(4,5)6;1-10-8-11(13(2,3)4)9-12(16)15(10)14(5,6)7;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;3*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2)14(15-6)9-7-12(8-10-14)13(3,4)5;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-11(2,3)9-7-10(13(14,15)16)17(8-9)12(4,5)6;1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-4(2)3;;/h14-15H,7-11,13H2,1-6H3;12,17H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;3*10-11H,7-9H2,1-6H3;7-10H2,1-6H3;11H,1,8-9H2,2-7H3;8-11H2,1-7H3;4*11-12H,8-10H2,1-7H3;11-12H,7-10H2,1-5H3;7-10H,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;11H,7-10H2,1-6H3;11H,5-9H2,1-3H3;9-10H,7-8H2,1-6H3;9H,5-8H2,1-3H3;2*1-3H3;;/q;;;;;;;;;;;;;;;;;;-1;;3*-1;2*+2/t;;;2*10?,11-;;;;;;2*11-,12?;;;;;;;;;;;;;/m...10.....10............./s1
InChIKeyRRRAPRWCLQJRJA-CKRIOGIRSA-N
MW5105.60 g/mol
LogP85.72
Rot. Bonds6

About 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))

4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) (PubChem CID 160709536) has the molecular formula C297H566F12N22O4W2 and a molecular weight of 5105.60 g/mol. Its IUPAC name is 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)).

Molecular Properties

Compound Name4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))
PubChem CID160709536
Molecular FormulaC297H566F12N22O4W2
Molecular Weight5105.60 g/mol
Exact Mass5102.36
IUPAC Name4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))
SMILESC=C1CC(C(C)(C)C)CC(=O)N1C(C)(C)C.CC(C)(C)C1CC(C(F)(F)F)N(C(C)(C)C)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC(N(CCC#N)C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C(=O)C1.CC(C)(C)C1CCN(C(C)(C)C)C(C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)[C@H](C(F)(F)F)C1.CC(C)(C)C1COC(C(C)(C)C)OC1.CC(C)(C)N1CCC(C#N)(C(C)(C)C)CC1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)NC1(C#N)CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.C[C-](C)C.C[C-](C)C.C[C@@H]1CC(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CC(C(C)(C)C)CCN1C(C)(C)C.[C-]#[N+]C1(C(C)C)CCC(C(C)(C)C)CC1.[C-]#[N+]C[C-]1CCC(C(C)(C)C)CC1.[C-]#[N+][C-]1CCC(C(C)(C)C)CC1.[W+2].[W+2]
InChIInChI=1S/C17H32N2.C15H28N2.C15H29N.3C14H26F3N.C14H26N2.C14H25NO.5C14H29N.C14H25N.C14H22.C13H24F3N.C13H25NO.C13H27N.C12H20N.C12H24O2.C11H18N.2C4H9.2W/c1-16(2,3)14-8-10-15(11-9-14)19(13-7-12-18)17(4,5)6;1-13(2,3)12-7-9-15(11-16,10-8-12)17-14(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;3*1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17;1-12(2,3)14(11-15)7-9-16(10-8-14)13(4,5)6;1-10-8-11(13(2,3)4)9-12(16)15(10)14(5,6)7;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;3*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2)14(15-6)9-7-12(8-10-14)13(3,4)5;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-11(2,3)9-7-10(13(14,15)16)17(8-9)12(4,5)6;1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-4(2)3;;/h14-15H,7-11,13H2,1-6H3;12,17H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;3*10-11H,7-9H2,1-6H3;7-10H2,1-6H3;11H,1,8-9H2,2-7H3;8-11H2,1-7H3;4*11-12H,8-10H2,1-7H3;11-12H,7-10H2,1-5H3;7-10H,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;11H,7-10H2,1-6H3;11H,5-9H2,1-3H3;9-10H,7-8H2,1-6H3;9H,5-8H2,1-3H3;2*1-3H3;;/q;;;;;;;;;;;;;;;;;;-1;;3*-1;2*+2/t;;;2*10?,11-;;;;;;2*11-,12?;;;;;;;;;;;;;/m...10.....10............./s1
InChIKeyRRRAPRWCLQJRJA-CKRIOGIRSA-N
XLogP85.72
TPSA197.68 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005105.60
LogP ≤ 585.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))?
The IUPAC name of 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) (CID 160709536) is 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)).
What is the SMILES notation for 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))?
The canonical SMILES for 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) is C=C1CC(C(C)(C)C)CC(=O)N1C(C)(C)C.CC(C)(C)C1CC(C(F)(F)F)N(C(C)(C)C)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC(N(CCC#N)C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C(=O)C1.CC(C)(C)C1CCN(C(C)(C)C)C(C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1.CC(C)(C)C1CCN(C(C)(C)C)[C@H](C(F)(F)F)C1.CC(C)(C)C1COC(C(C)(C)C)OC1.CC(C)(C)N1CCC(C#N)(C(C)(C)C)CC1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)NC1(C#N)CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCC1C(C)(C)C.C[C-](C)C.C[C-](C)C.C[C@@H]1CC(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CC(C(C)(C)C)CCN1C(C)(C)C.[C-]#[N+]C1(C(C)C)CCC(C(C)(C)C)CC1.[C-]#[N+]C[C-]1CCC(C(C)(C)C)CC1.[C-]#[N+][C-]1CCC(C(C)(C)C)CC1.[W+2].[W+2].
What is the InChIKey of 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))?
The InChIKey is RRRAPRWCLQJRJA-CKRIOGIRSA-N. The full InChI is InChI=1S/C17H32N2.C15H28N2.C15H29N.3C14H26F3N.C14H26N2.C14H25NO.5C14H29N.C14H25N.C14H22.C13H24F3N.C13H25NO.C13H27N.C12H20N.C12H24O2.C11H18N.2C4H9.2W/c1-16(2,3)14-8-10-15(11-9-14)19(13-7-12-18)17(4,5)6;1-13(2,3)12-7-9-15(11-16,10-8-12)17-14(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;3*1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17;1-12(2,3)14(11-15)7-9-16(10-8-14)13(4,5)6;1-10-8-11(13(2,3)4)9-12(16)15(10)14(5,6)7;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11-10-15(14(5,6)7)9-8-12(11)13(2,3)4;3*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2)14(15-6)9-7-12(8-10-14)13(3,4)5;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-11(2,3)9-7-10(13(14,15)16)17(8-9)12(4,5)6;1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-4(2)3;;/h14-15H,7-11,13H2,1-6H3;12,17H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;3*10-11H,7-9H2,1-6H3;7-10H2,1-6H3;11H,1,8-9H2,2-7H3;8-11H2,1-7H3;4*11-12H,8-10H2,1-7H3;11-12H,7-10H2,1-5H3;7-10H,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;11H,7-10H2,1-6H3;11H,5-9H2,1-3H3;9-10H,7-8H2,1-6H3;9H,5-8H2,1-3H3;2*1-3H3;;/q;;;;;;;;;;;;;;;;;;-1;;3*-1;2*+2/t;;;2*10?,11-;;;;;;2*11-,12?;;;;;;;;;;;;;/m...10.....10............./s1.
What are the key properties of 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+))?
4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) has a molecular weight of 5105.60 g/mol, XLogP of 85.72, 6 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(tert-butylamino)cyclohexane-1-carbonitrile;3-[tert-butyl-(4-tert-butylcyclohexyl)amino]propanenitrile;1-tert-butyl-4-isocyanocyclohexane;1-tert-butyl-4-(isocyanomethyl)cyclohexane;4-tert-butyl-1-isocyano-1-propan-2-ylcyclohexane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3-dioxane;1,4-ditert-butyl-6-methylidenepiperidin-2-one;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;(2S)-1,4-ditert-butyl-2-methylpiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidine-4-carbonitrile;1,4-ditert-butylpiperidin-2-one;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;(2R)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine;1,4-ditert-butyl-2-(trifluoromethyl)pyrrolidine;bis(2-methylpropane);bis(tungsten(2+)) is sourced from PubChem (CID 160709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).