[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)

C248H471N23O14 — CID 158216243

IUPAC[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)
SMILESCC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCCN)CC1.CC(C)(C)CCN1CCN(CCN)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCN)C(C)(C)C.C[C@H](OCCCOCCN)C(C)(C)C
InChIInChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H34N2O.C15H29N3O.C13H29N3.C12H27N3.2C11H25NO2.4C4H10/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;1-13(2,3)5-8-16-11-9-15(10-12-16)7-4-6-14;1-12(2,3)4-6-14-8-10-15(7-5-13)11-9-14;2*1-10(11(2,3)4)14-8-5-7-13-9-6-12;4*1-4(2)3/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;4-12,14H2,1-3H3;4-11,13H2,1-3H3;2*10H,5-9,12H2,1-4H3;4*4H,1-3H3/t2*16?,19-;15-;;;;;;;;;;2*10-;;;;/m101.........10..../s1
InChIKeyGCRKYQOZKYHUDR-OAVSZVSXSA-N
MW3999.64 g/mol
LogP55.05
Rot. Bonds78

About [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)

[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) (PubChem CID 158216243) has the molecular formula C248H471N23O14 and a molecular weight of 3999.64 g/mol. Its IUPAC name is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane).

Molecular Properties

Compound Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)
PubChem CID158216243
Molecular FormulaC248H471N23O14
Molecular Weight3999.64 g/mol
Exact Mass3996.69
IUPAC Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)
SMILESCC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCCN)CC1.CC(C)(C)CCN1CCN(CCN)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCN)C(C)(C)C.C[C@H](OCCCOCCN)C(C)(C)C
InChIInChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H34N2O.C15H29N3O.C13H29N3.C12H27N3.2C11H25NO2.4C4H10/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;1-13(2,3)5-8-16-11-9-15(10-12-16)7-4-6-14;1-12(2,3)4-6-14-8-10-15(7-5-13)11-9-14;2*1-10(11(2,3)4)14-8-5-7-13-9-6-12;4*1-4(2)3/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;4-12,14H2,1-3H3;4-11,13H2,1-3H3;2*10H,5-9,12H2,1-4H3;4*4H,1-3H3/t2*16?,19-;15-;;;;;;;;;;2*10-;;;;/m101.........10..../s1
InChIKeyGCRKYQOZKYHUDR-OAVSZVSXSA-N
XLogP55.05
TPSA393.15 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds78
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003999.64
LogP ≤ 555.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)?
The IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) (CID 158216243) is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane).
What is the SMILES notation for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)?
The canonical SMILES for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) is CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCCN)CC1.CC(C)(C)CCN1CCN(CCN)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCN)C(C)(C)C.C[C@H](OCCCOCCN)C(C)(C)C.
What is the InChIKey of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)?
The InChIKey is GCRKYQOZKYHUDR-OAVSZVSXSA-N. The full InChI is InChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H34N2O.C15H29N3O.C13H29N3.C12H27N3.2C11H25NO2.4C4H10/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;1-13(2,3)5-8-16-11-9-15(10-12-16)7-4-6-14;1-12(2,3)4-6-14-8-10-15(7-5-13)11-9-14;2*1-10(11(2,3)4)14-8-5-7-13-9-6-12;4*1-4(2)3/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;4-12,14H2,1-3H3;4-11,13H2,1-3H3;2*10H,5-9,12H2,1-4H3;4*4H,1-3H3/t2*16?,19-;15-;;;;;;;;;;2*10-;;;;/m101.........10..../s1.
What are the key properties of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane)?
[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) has a molecular weight of 3999.64 g/mol, XLogP of 55.05, 78 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethanamine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanamine;3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine;tetrakis(2-methylpropane) is sourced from PubChem (CID 158216243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).