(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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine

C279H583N31O27 — CID 158594446

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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
SMILESCC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(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.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C17H37N3O.5C17H34N2O2.C17H36N2O2.3C16H34N2O2.C16H34N2O.C15H32N2O.C14H29N.2C13H26N2.C11H25NO.2C10H22O2.C10H22O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(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)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(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;3*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)11-12-7-9-15(10-8-12)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6/h18H,7-15H2,1-6H3;2*7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;7-15H2,1-6H3;3*7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;12H,7-11H2,1-6H3;2*10-11H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*7-8H2,1-6H3;7-8H2,1-6H3/t;;;2*14-,15-;;;;;;;;;2*10-,11-;;;;/m...10........10..../s1
InChIKeyHUVSATWUASXHSE-UFNQCZBFSA-N
MW4804.92 g/mol
LogP48.74
Rot. Bonds81

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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine (PubChem CID 158594446) has the molecular formula C279H583N31O27 and a molecular weight of 4804.92 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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
PubChem CID158594446
Molecular FormulaC279H583N31O27
Molecular Weight4804.92 g/mol
Exact Mass4801.52
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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
SMILESCC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(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.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C17H37N3O.5C17H34N2O2.C17H36N2O2.3C16H34N2O2.C16H34N2O.C15H32N2O.C14H29N.2C13H26N2.C11H25NO.2C10H22O2.C10H22O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(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)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(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;3*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)11-12-7-9-15(10-8-12)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6/h18H,7-15H2,1-6H3;2*7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;7-15H2,1-6H3;3*7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;12H,7-11H2,1-6H3;2*10-11H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*7-8H2,1-6H3;7-8H2,1-6H3/t;;;2*14-,15-;;;;;;;;;2*10-,11-;;;;/m...10........10..../s1
InChIKeyHUVSATWUASXHSE-UFNQCZBFSA-N
XLogP48.74
TPSA392.65 Ų
H-Bond Donors4
H-Bond Acceptors57
Rotatable Bonds81
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004804.92
LogP ≤ 548.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1057

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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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

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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine (CID 158594446) 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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine is CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(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.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.
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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine?
The InChIKey is HUVSATWUASXHSE-UFNQCZBFSA-N. The full InChI is InChI=1S/C17H37N3O.5C17H34N2O2.C17H36N2O2.3C16H34N2O2.C16H34N2O.C15H32N2O.C14H29N.2C13H26N2.C11H25NO.2C10H22O2.C10H22O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(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)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(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;3*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)11-12-7-9-15(10-8-12)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6/h18H,7-15H2,1-6H3;2*7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-14H2,1-6H3;7-15H2,1-6H3;3*7-14H2,1-6H3;14,17H,7-13H2,1-6H3;13,16H,7-12H2,1-6H3;12H,7-11H2,1-6H3;2*10-11H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*7-8H2,1-6H3;7-8H2,1-6H3/t;;;2*14-,15-;;;;;;;;;2*10-,11-;;;;/m...10........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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine has a molecular weight of 4804.92 g/mol, XLogP of 48.74, 81 rotatable bonds, 4 hydrogen bond donors, and 57 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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;tris(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine is sourced from PubChem (CID 158594446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).