3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine

C219H450F2N20O2 — CID 160765369

IUPAC3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCC(C)(C)C1CN2CCC1CC2.CC(C)(C)CC1CCC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCOCC1.CC1CCC(CC(C)(C)C)N(C)C1.CC1CN(CCC(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(F)C1CC(C)(C)C.CN1CCC(F)CC1CC(C)(C)C.CN1CCC1CC(C)(C)C.CN1CCCC1CC(C)(C)C.CN1CCC[C@@H]1CC(C)(C)C.CN1CCC[C@H]1CC(C)(C)C.CN1CCOCC1CC(C)(C)C.C[C@@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@@H]1C[C@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@H](CC(C)(C)C)N(C)C1
InChIInChI=1S/C12H23N.C12H25N.C11H22FN.2C11H21N.5C11H23N.C10H20FN.2C10H21NO.5C10H21N.2C9H19N.C9H18/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)4;1-10-6-7-11(13(5)9-10)8-12(2,3)4;1-11(2,3)8-10-7-9(12)5-6-13(10)4;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)10-8-12-6-4-9(10)5-7-12;4*1-9-6-10(12(5)8-9)7-11(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;1-10(2,3)7-9-8(11)5-6-12(9)4;1-10(2,3)7-9-8-12-6-5-11(9)4;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)7-9-5-6-11(4)8-9;1-9-7-11(8-9)6-5-10(2,3)4;3*1-10(2,3)8-9-6-5-7-11(9)4;1-9(2,3)7-8-5-6-10(8)4;1-9(2,3)5-8-10-6-4-7-10;1-9(2,3)7-8-5-4-6-8/h10H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5*9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;2*9-,10+;2*9-,10-;;;;;;;2*9-;;;;/m.....1010......10..../s1
InChIKeyRYPRQBWLGOHAJK-QJAGIJCWSA-N
MW3434.14 g/mol
LogP53.09
Rot. Bonds22

About 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine

3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine (PubChem CID 160765369) has the molecular formula C219H450F2N20O2 and a molecular weight of 3434.14 g/mol. Its IUPAC name is 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine
PubChem CID160765369
Molecular FormulaC219H450F2N20O2
Molecular Weight3434.14 g/mol
Exact Mass3431.57
IUPAC Name3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCC(C)(C)C1CN2CCC1CC2.CC(C)(C)CC1CCC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCOCC1.CC1CCC(CC(C)(C)C)N(C)C1.CC1CN(CCC(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(F)C1CC(C)(C)C.CN1CCC(F)CC1CC(C)(C)C.CN1CCC1CC(C)(C)C.CN1CCCC1CC(C)(C)C.CN1CCC[C@@H]1CC(C)(C)C.CN1CCC[C@H]1CC(C)(C)C.CN1CCOCC1CC(C)(C)C.C[C@@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@@H]1C[C@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@H](CC(C)(C)C)N(C)C1
InChIInChI=1S/C12H23N.C12H25N.C11H22FN.2C11H21N.5C11H23N.C10H20FN.2C10H21NO.5C10H21N.2C9H19N.C9H18/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)4;1-10-6-7-11(13(5)9-10)8-12(2,3)4;1-11(2,3)8-10-7-9(12)5-6-13(10)4;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)10-8-12-6-4-9(10)5-7-12;4*1-9-6-10(12(5)8-9)7-11(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;1-10(2,3)7-9-8(11)5-6-12(9)4;1-10(2,3)7-9-8-12-6-5-11(9)4;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)7-9-5-6-11(4)8-9;1-9-7-11(8-9)6-5-10(2,3)4;3*1-10(2,3)8-9-6-5-7-11(9)4;1-9(2,3)7-8-5-6-10(8)4;1-9(2,3)5-8-10-6-4-7-10;1-9(2,3)7-8-5-4-6-8/h10H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5*9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;2*9-,10+;2*9-,10-;;;;;;;2*9-;;;;/m.....1010......10..../s1
InChIKeyRYPRQBWLGOHAJK-QJAGIJCWSA-N
XLogP53.09
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003434.14
LogP ≤ 553.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine (CID 160765369) is 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine is CC(C)(C)C1CN2CCC1CC2.CC(C)(C)CC1CCC1.CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCOCC1.CC1CCC(CC(C)(C)C)N(C)C1.CC1CN(CCC(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(F)C1CC(C)(C)C.CN1CCC(F)CC1CC(C)(C)C.CN1CCC1CC(C)(C)C.CN1CCCC1CC(C)(C)C.CN1CCC[C@@H]1CC(C)(C)C.CN1CCC[C@H]1CC(C)(C)C.CN1CCOCC1CC(C)(C)C.C[C@@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@@H]1C[C@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@@H](CC(C)(C)C)N(C)C1.C[C@H]1C[C@H](CC(C)(C)C)N(C)C1.
What is the InChIKey of 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The InChIKey is RYPRQBWLGOHAJK-QJAGIJCWSA-N. The full InChI is InChI=1S/C12H23N.C12H25N.C11H22FN.2C11H21N.5C11H23N.C10H20FN.2C10H21NO.5C10H21N.2C9H19N.C9H18/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)4;1-10-6-7-11(13(5)9-10)8-12(2,3)4;1-11(2,3)8-10-7-9(12)5-6-13(10)4;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)10-8-12-6-4-9(10)5-7-12;4*1-9-6-10(12(5)8-9)7-11(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;1-10(2,3)7-9-8(11)5-6-12(9)4;1-10(2,3)7-9-8-12-6-5-11(9)4;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)7-9-5-6-11(4)8-9;1-9-7-11(8-9)6-5-10(2,3)4;3*1-10(2,3)8-9-6-5-7-11(9)4;1-9(2,3)7-8-5-6-10(8)4;1-9(2,3)5-8-10-6-4-7-10;1-9(2,3)7-8-5-4-6-8/h10H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;4*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5*9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;2*9-,10+;2*9-,10-;;;;;;;2*9-;;;;/m.....1010......10..../s1.
What are the key properties of 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine has a molecular weight of 3434.14 g/mol, XLogP of 53.09, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-azabicyclo[2.2.2]octane;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-3-methylazetidine;4-(3,3-dimethylbutyl)morpholine;2,2-dimethylpropylcyclobutane;2-(2,2-dimethylpropyl)-1,5-dimethylpiperidine;(2R,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4R)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;2-(2,2-dimethylpropyl)-4-fluoro-1-methylpiperidine;2-(2,2-dimethylpropyl)-3-fluoro-1-methylpyrrolidine;2-(2,2-dimethylpropyl)-1-methylazetidine;3-(2,2-dimethylpropyl)-4-methylmorpholine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;3-(2,2-dimethylpropyl)-1-methylpyrrolidine is sourced from PubChem (CID 160765369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).