tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine

C196H368N24O12 — CID 159169285

IUPACtert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OC1CCN(C)CC1.CC(C)OCCCN(C)C.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)O[C@H](C)c1ccccc1.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccnn1C.CC1CN(C(C)C)CC(C)O1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C14H23N3.C12H24N2O2.C12H19N.3C11H16O.C10H22N2.C10H14.C9H18N2O.C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H19NO.C8H17N.C8H16.C7H14N2O.C7H12N2.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;2*1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-8(2)10-7-5-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)9-4-3-8-7(10)5-9;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;9-10H,5-8H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;5-6H,1-4H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);4-6H,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3/t;;;10-;;;;;;;;;;;;;;;;;/m...1................./s1
InChIKeyKLMABCVRAVKFDA-UCNAHEPNSA-N
MW3253.26 g/mol
LogP38.91
Rot. Bonds38

About tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine

tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine (PubChem CID 159169285) has the molecular formula C196H368N24O12 and a molecular weight of 3253.26 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
PubChem CID159169285
Molecular FormulaC196H368N24O12
Molecular Weight3253.26 g/mol
Exact Mass3250.89
IUPAC Nametert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OC1CCN(C)CC1.CC(C)OCCCN(C)C.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)O[C@H](C)c1ccccc1.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccnn1C.CC1CN(C(C)C)CC(C)O1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C14H23N3.C12H24N2O2.C12H19N.3C11H16O.C10H22N2.C10H14.C9H18N2O.C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H19NO.C8H17N.C8H16.C7H14N2O.C7H12N2.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;2*1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-8(2)10-7-5-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)9-4-3-8-7(10)5-9;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;9-10H,5-8H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;5-6H,1-4H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);4-6H,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3/t;;;10-;;;;;;;;;;;;;;;;;/m...1................./s1
InChIKeyKLMABCVRAVKFDA-UCNAHEPNSA-N
XLogP38.91
TPSA253.16 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003253.26
LogP ≤ 538.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157538703
(10S,13S,19S,22R)-13,22-dimethyl-8-methylidene-10-propan-2-yl-21-oxa-4,5,9,12,15,28-hexazatetracyclo[21.3.1.12,5.115,19]nonacosa-1(27),2(29),3,23,25-pentaene-11,14,20-trione;(7R,10S,16S,19S)-7,16-dimethyl-21-methylidene-19-propan-2-yl-8-oxa-14,17,20,25,29-pentazatetracyclo[22.2.2.12,6.110,14]triaconta-1(26),2(30),3,5,24,27-hexaene-9,15,18-trione;(7R,10S,16S,19S)-7,16-dimethyl-21-methylidene-19-propan-2-yl-8-oxa-14,17,20,26,29-pentazatetracyclo[22.2.2.12,6.110,14]triaconta-1(26),2(30),3,5,24,27-hexaene-9,15,18-trione;(7R,10S,16S,19S)-7,16-dimethyl-21-methylidene-19-propan-2-yl-8-oxa-14,17,20,29-tetrazatetracyclo[22.2.2.12,6.110,14]triaconta-1(27),2(30),3,5,24(28),25-hexaene-9,15,18-trione
CID 158058999
Cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane
CID 159153627
tert-butylbenzene;4-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 160500821
2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;[(1R)-1-propan-2-yloxyethyl]benzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 160950351
tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine
CID 160996722
Cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane
CID 161504721

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The IUPAC name of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine (CID 159169285) is tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine is CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OC1CCN(C)CC1.CC(C)OCCCN(C)C.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)O[C@H](C)c1ccccc1.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccnn1C.CC1CN(C(C)C)CC(C)O1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The InChIKey is KLMABCVRAVKFDA-UCNAHEPNSA-N. The full InChI is InChI=1S/C14H23N3.C12H24N2O2.C12H19N.3C11H16O.C10H22N2.C10H14.C9H18N2O.C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H19NO.C8H17N.C8H16.C7H14N2O.C7H12N2.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;2*1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-8(2)10-7-5-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)9-4-3-8-7(10)5-9;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;9-10H,5-8H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;5-6H,1-4H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);4-6H,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3/t;;;10-;;;;;;;;;;;;;;;;;/m...1................./s1.
What are the key properties of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine has a molecular weight of 3253.26 g/mol, XLogP of 38.91, 38 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine is sourced from PubChem (CID 159169285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).