N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one

C239H450N18O23 — CID 157094072

IUPACN-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)NCC1CCCN(CCOCCCCOC(C)(C)C)C1.CC(C)(C)NCC1CCCN(CCOCCOCCC#CCOC(C)(C)C)C1.CC(C)(C)NCCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOc1cccc(OC(C)(C)C)c1.CC(C)(C)NCCCCCOc1cccc(OC2CCC(OC(C)(C)C)CC2)c1.CC(C)(C)NCc1cccc(CCCOC(C)(C)C)c1.CC(C)(C)NCc1cccc(CCCOCCCN2CCCC(OC(C)(C)C)C2)c1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)OCCCCCc1cccc(OCCN2CCCC(NC(C)(C)C)C2)c1.CNCCCCCCOC1CCCC(OC(C)(C)C)C1
InChIInChI=1S/C26H46N2O2.C25H44N2O2.C25H43NO3.C23H44N2O3.C21H37N3O2.C20H42N2O2.C19H33NO2.C18H31NO.C17H35NO2.C14H31NO.C13H29NO.C10H15NO2.2C4H10/c1-25(2,3)27-20-23-12-7-11-22(19-23)13-9-17-29-18-10-16-28-15-8-14-24(21-28)30-26(4,5)6;1-21(2)28-17-8-6-7-11-22-12-9-14-24(19-22)29-18-16-27-15-10-13-23(20-27)26-25(3,4)5;1-24(2,3)26-17-8-7-9-18-27-22-11-10-12-23(19-22)28-20-13-15-21(16-14-20)29-25(4,5)6;1-22(2,3)24-19-21-11-10-12-25(20-21)13-16-27-18-17-26-14-8-7-9-15-28-23(4,5)6;1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-16-18-10-9-11-22(17-18)12-15-23-13-7-8-14-24-20(4,5)6;1-18(2,3)20-13-8-7-9-14-21-16-11-10-12-17(15-16)22-19(4,5)6;1-17(2,3)19-14-16-10-7-9-15(13-16)11-8-12-20-18(4,5)6;1-17(2,3)20-16-11-9-10-15(14-16)19-13-8-6-5-7-12-18-4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-12(2,3)14-10-8-7-9-11-15-13(4,5)6;1-10(2,3)13-7-8-4-5-9(12)11-6-8;2*1-4(2)3/h7,11-12,19,24,27H,8-10,13-18,20-21H2,1-6H3;9,12,14,19,21,23,26H,6-8,10-11,13,15-18,20H2,1-5H3;10-12,19-21,26H,7-9,13-18H2,1-6H3;21,24H,8,10-20H2,1-6H3;8-9,16H,7,10-15,17H2,1-6H3;18,21H,7-17H2,1-6H3;10-12,15,20H,7-9,13-14H2,1-6H3;7,9-10,13,19H,8,11-12,14H2,1-6H3;15-16,18H,5-14H2,1-4H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;4-6H,7H2,1-3H3,(H,11,12);2*4H,1-3H3
InChIKeyAEZRDVWCIYKSMN-UHFFFAOYSA-N
MW3944.33 g/mol
LogP52.14
Rot. Bonds99

About N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one

N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one (PubChem CID 157094072) has the molecular formula C239H450N18O23 and a molecular weight of 3944.33 g/mol. Its IUPAC name is N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound NameN-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
PubChem CID157094072
Molecular FormulaC239H450N18O23
Molecular Weight3944.33 g/mol
Exact Mass3941.46
IUPAC NameN-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)NCC1CCCN(CCOCCCCOC(C)(C)C)C1.CC(C)(C)NCC1CCCN(CCOCCOCCC#CCOC(C)(C)C)C1.CC(C)(C)NCCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOc1cccc(OC(C)(C)C)c1.CC(C)(C)NCCCCCOc1cccc(OC2CCC(OC(C)(C)C)CC2)c1.CC(C)(C)NCc1cccc(CCCOC(C)(C)C)c1.CC(C)(C)NCc1cccc(CCCOCCCN2CCCC(OC(C)(C)C)C2)c1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)OCCCCCc1cccc(OCCN2CCCC(NC(C)(C)C)C2)c1.CNCCCCCCOC1CCCC(OC(C)(C)C)C1
InChIInChI=1S/C26H46N2O2.C25H44N2O2.C25H43NO3.C23H44N2O3.C21H37N3O2.C20H42N2O2.C19H33NO2.C18H31NO.C17H35NO2.C14H31NO.C13H29NO.C10H15NO2.2C4H10/c1-25(2,3)27-20-23-12-7-11-22(19-23)13-9-17-29-18-10-16-28-15-8-14-24(21-28)30-26(4,5)6;1-21(2)28-17-8-6-7-11-22-12-9-14-24(19-22)29-18-16-27-15-10-13-23(20-27)26-25(3,4)5;1-24(2,3)26-17-8-7-9-18-27-22-11-10-12-23(19-22)28-20-13-15-21(16-14-20)29-25(4,5)6;1-22(2,3)24-19-21-11-10-12-25(20-21)13-16-27-18-17-26-14-8-7-9-15-28-23(4,5)6;1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-16-18-10-9-11-22(17-18)12-15-23-13-7-8-14-24-20(4,5)6;1-18(2,3)20-13-8-7-9-14-21-16-11-10-12-17(15-16)22-19(4,5)6;1-17(2,3)19-14-16-10-7-9-15(13-16)11-8-12-20-18(4,5)6;1-17(2,3)20-16-11-9-10-15(14-16)19-13-8-6-5-7-12-18-4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-12(2,3)14-10-8-7-9-11-15-13(4,5)6;1-10(2,3)13-7-8-4-5-9(12)11-6-8;2*1-4(2)3/h7,11-12,19,24,27H,8-10,13-18,20-21H2,1-6H3;9,12,14,19,21,23,26H,6-8,10-11,13,15-18,20H2,1-5H3;10-12,19-21,26H,7-9,13-18H2,1-6H3;21,24H,8,10-20H2,1-6H3;8-9,16H,7,10-15,17H2,1-6H3;18,21H,7-17H2,1-6H3;10-12,15,20H,7-9,13-14H2,1-6H3;7,9-10,13,19H,8,11-12,14H2,1-6H3;15-16,18H,5-14H2,1-4H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;4-6H,7H2,1-3H3,(H,11,12);2*4H,1-3H3
InChIKeyAEZRDVWCIYKSMN-UHFFFAOYSA-N
XLogP52.14
TPSA388.55 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds99
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003944.33
LogP ≤ 552.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The IUPAC name of N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one (CID 157094072) is N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The canonical SMILES for N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one is CC(C)(C)NCC1CCCN(CCOCCCCOC(C)(C)C)C1.CC(C)(C)NCC1CCCN(CCOCCOCCC#CCOC(C)(C)C)C1.CC(C)(C)NCCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOC(C)(C)C.CC(C)(C)NCCCCCOc1cccc(OC(C)(C)C)c1.CC(C)(C)NCCCCCOc1cccc(OC2CCC(OC(C)(C)C)CC2)c1.CC(C)(C)NCc1cccc(CCCOC(C)(C)C)c1.CC(C)(C)NCc1cccc(CCCOCCCN2CCCC(OC(C)(C)C)C2)c1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)OCCCCCc1cccc(OCCN2CCCC(NC(C)(C)C)C2)c1.CNCCCCCCOC1CCCC(OC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The InChIKey is AEZRDVWCIYKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O2.C25H44N2O2.C25H43NO3.C23H44N2O3.C21H37N3O2.C20H42N2O2.C19H33NO2.C18H31NO.C17H35NO2.C14H31NO.C13H29NO.C10H15NO2.2C4H10/c1-25(2,3)27-20-23-12-7-11-22(19-23)13-9-17-29-18-10-16-28-15-8-14-24(21-28)30-26(4,5)6;1-21(2)28-17-8-6-7-11-22-12-9-14-24(19-22)29-18-16-27-15-10-13-23(20-27)26-25(3,4)5;1-24(2,3)26-17-8-7-9-18-27-22-11-10-12-23(19-22)28-20-13-15-21(16-14-20)29-25(4,5)6;1-22(2,3)24-19-21-11-10-12-25(20-21)13-16-27-18-17-26-14-8-7-9-15-28-23(4,5)6;1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-16-18-10-9-11-22(17-18)12-15-23-13-7-8-14-24-20(4,5)6;1-18(2,3)20-13-8-7-9-14-21-16-11-10-12-17(15-16)22-19(4,5)6;1-17(2,3)19-14-16-10-7-9-15(13-16)11-8-12-20-18(4,5)6;1-17(2,3)20-16-11-9-10-15(14-16)19-13-8-6-5-7-12-18-4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-12(2,3)14-10-8-7-9-11-15-13(4,5)6;1-10(2,3)13-7-8-4-5-9(12)11-6-8;2*1-4(2)3/h7,11-12,19,24,27H,8-10,13-18,20-21H2,1-6H3;9,12,14,19,21,23,26H,6-8,10-11,13,15-18,20H2,1-5H3;10-12,19-21,26H,7-9,13-18H2,1-6H3;21,24H,8,10-20H2,1-6H3;8-9,16H,7,10-15,17H2,1-6H3;18,21H,7-17H2,1-6H3;10-12,15,20H,7-9,13-14H2,1-6H3;7,9-10,13,19H,8,11-12,14H2,1-6H3;15-16,18H,5-14H2,1-4H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;4-6H,7H2,1-3H3,(H,11,12);2*4H,1-3H3.
What are the key properties of N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one has a molecular weight of 3944.33 g/mol, XLogP of 52.14, 99 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyphenoxy]pentan-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;N-tert-butyl-5-[3-[(2-methylpropan-2-yl)oxy]phenoxy]pentan-1-amine;N-tert-butyl-1-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]piperidin-3-amine;2-methyl-N-[[1-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;N-methyl-6-[3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyhexan-1-amine;2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propoxy]propyl]phenyl]methyl]propan-2-amine;2-methyl-N-[[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]methyl]propan-2-amine;bis(2-methylpropane);5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 157094072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).