(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

C204H426N24O20 — CID 158314511

IUPAC(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESCC(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)NCCCOC(C)(C)C.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)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1
InChIInChI=1S/3C17H34N2O2.2C16H34N2O2.C15H32N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO/c2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;2*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)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2/h2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;2*7-14H2,1-6H3;13,16H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3/t;;14-,15-;;;;2*10-,11-;;;;;;;;/m..0...10......../s1
InChIKeyGOCDEYYMYXGOFW-MYEQQEOASA-N
MW3535.80 g/mol
LogP33.36
Rot. Bonds62

About (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one (PubChem CID 158314511) has the molecular formula C204H426N24O20 and a molecular weight of 3535.80 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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one.

Molecular Properties

Compound Name(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
PubChem CID158314511
Molecular FormulaC204H426N24O20
Molecular Weight3535.80 g/mol
Exact Mass3533.31
IUPAC Name(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESCC(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)NCCCOC(C)(C)C.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)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1
InChIInChI=1S/3C17H34N2O2.2C16H34N2O2.C15H32N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO/c2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;2*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)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2/h2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;2*7-14H2,1-6H3;13,16H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3/t;;14-,15-;;;;2*10-,11-;;;;;;;;/m..0...10......../s1
InChIKeyGOCDEYYMYXGOFW-MYEQQEOASA-N
XLogP33.36
TPSA287.78 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds62
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003535.80
LogP ≤ 533.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one with MolForge

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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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The IUPAC name of (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one (CID 158314511) is (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one.
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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The canonical SMILES for (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one is 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)NCCCOC(C)(C)C.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)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1.
What is the InChIKey of (1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The InChIKey is GOCDEYYMYXGOFW-MYEQQEOASA-N. The full InChI is InChI=1S/3C17H34N2O2.2C16H34N2O2.C15H32N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO/c2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;2*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)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2/h2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;2*7-14H2,1-6H3;13,16H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3/t;;14-,15-;;;;2*10-,11-;;;;;;;;/m..0...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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
(1S,4S)-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);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one has a molecular weight of 3535.80 g/mol, XLogP of 33.36, 62 rotatable bonds, 2 hydrogen bond donors, and 44 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;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);3-butyl-1-ethylpyrrolidine;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;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one is sourced from PubChem (CID 158314511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).