2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine

C171H376N22O12 — CID 159697764

IUPAC2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCCOC1.C1COCCN1.C1OC2CNC1C2.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@@H]1COC[C@@H](C)N1.C[C@@H]1COC[C@@H](C)N1C(C)(C)C.C[C@@H]1COC[C@H](C)N1.C[C@@H]1COC[C@H](C)N1C(C)(C)C
InChIInChI=1S/3C10H21NO.C9H18N2.C9H17NO.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.3C6H13NO.C5H9NO.C5H11NO.C5H11N.2C5H12.C4H10N2.C4H9NO.C4H9N.5C4H10.2C3H8/c2*1-8-6-12-7-9(2)11(8)10(3,4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-5-3-8-4-6(2)7-5;1-5-3-7-4-6(2)8-5;1-4-3-7-5(1)2-6-4;1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;2*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;5*1-4(2)3;2*1-3-2/h3*8-9H,6-7H2,1-5H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;3*5-7H,3-4H2,1-2H3;4-6H,1-3H2;6H,1-5H2;6H,1-5H2;2*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;5*4H,1-3H3;2*3H2,1-2H3/t8-,9+;8-,9-;8-,9+;;;;;;;;5-,6+;5-,6-;5-,6+;;;;;;;;;;;;;;;/m.1.........1................/s1
InChIKeyMXFQSUJXLHFKLU-NPMHULGYSA-N
MW2933.03 g/mol
LogP31.29
Rot. Bonds

About 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine

2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine (PubChem CID 159697764) has the molecular formula C171H376N22O12 and a molecular weight of 2933.03 g/mol. Its IUPAC name is 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine
PubChem CID159697764
Molecular FormulaC171H376N22O12
Molecular Weight2933.03 g/mol
Exact Mass2930.95
IUPAC Name2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCCOC1.C1COCCN1.C1OC2CNC1C2.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@@H]1COC[C@@H](C)N1.C[C@@H]1COC[C@@H](C)N1C(C)(C)C.C[C@@H]1COC[C@H](C)N1.C[C@@H]1COC[C@H](C)N1C(C)(C)C
InChIInChI=1S/3C10H21NO.C9H18N2.C9H17NO.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.3C6H13NO.C5H9NO.C5H11NO.C5H11N.2C5H12.C4H10N2.C4H9NO.C4H9N.5C4H10.2C3H8/c2*1-8-6-12-7-9(2)11(8)10(3,4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-5-3-8-4-6(2)7-5;1-5-3-7-4-6(2)8-5;1-4-3-7-5(1)2-6-4;1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;2*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;5*1-4(2)3;2*1-3-2/h3*8-9H,6-7H2,1-5H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;3*5-7H,3-4H2,1-2H3;4-6H,1-3H2;6H,1-5H2;6H,1-5H2;2*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;5*4H,1-3H3;2*3H2,1-2H3/t8-,9+;8-,9-;8-,9+;;;;;;;;5-,6+;5-,6-;5-,6+;;;;;;;;;;;;;;;/m.1.........1................/s1
InChIKeyMXFQSUJXLHFKLU-NPMHULGYSA-N
XLogP31.29
TPSA287.52 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002933.03
LogP ≤ 531.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine with MolForge

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Related Compounds

N,N-diethyl-3-methoxypropan-1-amine;N-ethyl-2-methoxy-N-methylethanamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;3-methoxy-N,N-di(propan-2-yl)propan-1-amine;1-(2-methoxyethyl)-4-(methoxymethyl)piperidine;1-(2-methoxyethyl)-2-(methoxymethyl)pyrrolidine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperazine;1-(2-methoxyethyl)piperidine;N-(2-methoxyethyl)-N-propan-2-ylpropan-2-amine;1-(2-methoxyethyl)pyrrolidine;2-methoxy-N-methylethanamine;4-(methoxymethyl)-1-methylpiperidine;2-(methoxymethyl)-1-methylpyrrolidine;4-(methoxymethyl)piperidine;3-methoxy-N-methylpropan-1-amine;2-(methoxymethyl)pyrrolidine;3-methoxy-1-methylpyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;4-(3-methoxypropyl)morpholine;1-(3-methoxypropyl)piperazine;1-(3-methoxypropyl)piperidine;1-(3-methoxypropyl)pyrrolidine;3-methoxypyrrolidine
CID 157204754
(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;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;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 157589374
2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane
CID 157596868
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)
CID 157884179
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)
CID 158460347
1-Tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 158818969
(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;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;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 158858550
CID 158983840
CID 158983840
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;bis(1-tert-butyl-4-methylpiperazine);bis(4-tert-butylmorpholine);5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperidine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;ethane;methane;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 164981755
bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 164992307

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine?
The IUPAC name of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine (CID 159697764) is 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine?
The canonical SMILES for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine is C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCCOC1.C1COCCN1.C1OC2CNC1C2.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@@H]1COC[C@@H](C)N1.C[C@@H]1COC[C@@H](C)N1C(C)(C)C.C[C@@H]1COC[C@H](C)N1.C[C@@H]1COC[C@H](C)N1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine?
The InChIKey is MXFQSUJXLHFKLU-NPMHULGYSA-N. The full InChI is InChI=1S/3C10H21NO.C9H18N2.C9H17NO.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.3C6H13NO.C5H9NO.C5H11NO.C5H11N.2C5H12.C4H10N2.C4H9NO.C4H9N.5C4H10.2C3H8/c2*1-8-6-12-7-9(2)11(8)10(3,4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-5-3-8-4-6(2)7-5;1-5-3-7-4-6(2)8-5;1-4-3-7-5(1)2-6-4;1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;2*1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;5*1-4(2)3;2*1-3-2/h3*8-9H,6-7H2,1-5H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;3*5-7H,3-4H2,1-2H3;4-6H,1-3H2;6H,1-5H2;6H,1-5H2;2*1-4H3;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;5*4H,1-3H3;2*3H2,1-2H3/t8-,9+;8-,9-;8-,9+;;;;;;;;5-,6+;5-,6-;5-,6+;;;;;;;;;;;;;;;/m.1.........1................/s1.
What are the key properties of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine?
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine has a molecular weight of 2933.03 g/mol, XLogP of 31.29, 0 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;bis(2,2-dimethylpropane);pentakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;1,4-oxazepane;piperazine;piperidine;propane;pyrrolidine is sourced from PubChem (CID 159697764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).