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

C196H415N27O17 — CID 158983840

IUPAC(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)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
InChIInChI=1S/2C17H37N3O.2C17H34N2O2.2C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.C15H32N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(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;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;2*7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;7-12H2,1-6H3/t;;2*14-,15-;;;;;;;;/m..10......../s1
InChIKeyJPIBPRCPWDZLPK-GOBZWPNOSA-N
MW3422.65 g/mol
LogP29.21
Rot. Bonds68

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

(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 158983840) has the molecular formula C196H415N27O17 and a molecular weight of 3422.65 g/mol. Its IUPAC name is (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID158983840
Molecular FormulaC196H415N27O17
Molecular Weight3422.65 g/mol
Exact Mass3420.24
IUPAC Name(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)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
InChIInChI=1S/2C17H37N3O.2C17H34N2O2.2C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.C15H32N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(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;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;2*7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;7-12H2,1-6H3/t;;2*14-,15-;;;;;;;;/m..10......../s1
InChIKeyJPIBPRCPWDZLPK-GOBZWPNOSA-N
XLogP29.21
TPSA297.13 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds68
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003422.65
LogP ≤ 529.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine (CID 158983840) is (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)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.
What is the InChIKey of (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is JPIBPRCPWDZLPK-GOBZWPNOSA-N. The full InChI is InChI=1S/2C17H37N3O.2C17H34N2O2.2C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.C15H32N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(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;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h2*18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;2*7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;7-12H2,1-6H3/t;;2*14-,15-;;;;;;;;/m..10......../s1.
What are the key properties of (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 3422.65 g/mol, XLogP of 29.21, 68 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-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-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;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-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 158983840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).