(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine

C150H310N20O15 — CID 161417457

IUPAC(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.2C17H34N2O2.C16H34N2O2.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;2*14-,15-;;;;/m...10..../s1
InChIKeyVWGSCPSLGNJORS-OFTKDCMWSA-N
MW2634.25 g/mol
LogP22.45
Rot. Bonds47

About (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine

(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 161417457) has the molecular formula C150H310N20O15 and a molecular weight of 2634.25 g/mol. Its IUPAC name is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID161417457
Molecular FormulaC150H310N20O15
Molecular Weight2634.25 g/mol
Exact Mass2632.41
IUPAC Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.2C17H34N2O2.C16H34N2O2.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;2*14-,15-;;;;/m...10..../s1
InChIKeyVWGSCPSLGNJORS-OFTKDCMWSA-N
XLogP22.45
TPSA262.88 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds47
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.25
LogP ≤ 522.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N-tert-butylpyrrolidin-3-amine);bis(N-(cyclopentylmethyl)-2-methylpropan-2-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;4-[(2-methylpropan-2-yl)oxy]piperidine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157137617
CID 157348421
CID 157348421
CID 157419047
CID 157419047
CID 157426373
CID 157426373
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 157573618
CID 157829787
CID 157829787
CID 158013579
CID 158013579
CID 158048634
CID 158048634
CID 158092150
CID 158092150
CID 158191457
CID 158191457
CID 158195403
CID 158195403
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 158263414

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine (CID 161417457) is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is VWGSCPSLGNJORS-OFTKDCMWSA-N. The full InChI is InChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.2C17H34N2O2.C16H34N2O2.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;2*14-,15-;;;;/m...10..../s1.
What are the key properties of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 2634.25 g/mol, XLogP of 22.45, 47 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 161417457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).