3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine

C206H426F6N20O2 — CID 160574779

IUPAC3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CN2CCC1CC2.CC(C)(C)C1COC1.CC(C)(C)N1CCC1.CC(C)N1CC(C(C)(C)C)C1.CC1CC(C(C)(C)C)N(C)C1.CC1CCC(C(C)(C)C)N1C.CC1CCN(C)C(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1C(CF)CCC1C(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CC(F)CCC1C(C)(C)C.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(F)C1C(C)(C)C.CN1CCC1C(C)(C)C.CN1CCCC(C(C)(C)C)CC1.CN1CCCCC1C(C)(C)C.C[C@@H]1C[C@@H](C)N(C)C1.C[C@@H]1C[C@H](F)CN1C.C[C@H]1C[C@@H](F)CN1C.C[C@H]1C[C@H](F)CN1C
InChIInChI=1S/C12H23N.2C11H21N.2C11H23N.2C10H20FN.4C10H21N.C10H18O.C9H18FN.3C8H17N.2C7H15N.C7H14O.3C6H12FN.4C2H6/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)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;1-9-6-7-12(5)10(8-9)11(2,3)4;1-11(2,3)10-6-5-8-12(4)9-7-10;1-10(2,3)9-6-5-8(11)7-12(9)4;1-10(2,3)9-6-5-8(7-11)12(9)4;1-8-6-9(10(2,3)4)11(5)7-8;1-8(2)11-6-9(7-11)10(3,4)5;1-8-6-7-9(11(8)5)10(2,3)4;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-7(10)5-6-11(8)4;1-8(2,3)7-5-9(4)6-7;1-7-5-9(6-7)8(2,3)4;1-8(2,3)7-5-6-9(7)4;1-6-4-7(2)8(3)5-6;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-8-5-6;3*1-5-3-6(7)4-8(5)2;4*1-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;2*8-9H,5-7H2,1-4H3;3*8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;3*7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;3*5-6H,3-4H2,1-2H3;4*1-2H3/t;;;;;;;;;;;;;;;;6-,7-;;;2*5-,6+;5-,6-;;;;/m................1..100..../s1
InChIKeyRAZSVJPBPHPETM-IGXFAPEJSA-N
MW3329.80 g/mol
LogP49.11
Rot. Bonds3

About 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine

3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine (PubChem CID 160574779) has the molecular formula C206H426F6N20O2 and a molecular weight of 3329.80 g/mol. Its IUPAC name is 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine
PubChem CID160574779
Molecular FormulaC206H426F6N20O2
Molecular Weight3329.80 g/mol
Exact Mass3327.38
IUPAC Name3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CN2CCC1CC2.CC(C)(C)C1COC1.CC(C)(C)N1CCC1.CC(C)N1CC(C(C)(C)C)C1.CC1CC(C(C)(C)C)N(C)C1.CC1CCC(C(C)(C)C)N1C.CC1CCN(C)C(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1C(CF)CCC1C(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CC(F)CCC1C(C)(C)C.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(F)C1C(C)(C)C.CN1CCC1C(C)(C)C.CN1CCCC(C(C)(C)C)CC1.CN1CCCCC1C(C)(C)C.C[C@@H]1C[C@@H](C)N(C)C1.C[C@@H]1C[C@H](F)CN1C.C[C@H]1C[C@@H](F)CN1C.C[C@H]1C[C@H](F)CN1C
InChIInChI=1S/C12H23N.2C11H21N.2C11H23N.2C10H20FN.4C10H21N.C10H18O.C9H18FN.3C8H17N.2C7H15N.C7H14O.3C6H12FN.4C2H6/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)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;1-9-6-7-12(5)10(8-9)11(2,3)4;1-11(2,3)10-6-5-8-12(4)9-7-10;1-10(2,3)9-6-5-8(11)7-12(9)4;1-10(2,3)9-6-5-8(7-11)12(9)4;1-8-6-9(10(2,3)4)11(5)7-8;1-8(2)11-6-9(7-11)10(3,4)5;1-8-6-7-9(11(8)5)10(2,3)4;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-7(10)5-6-11(8)4;1-8(2,3)7-5-9(4)6-7;1-7-5-9(6-7)8(2,3)4;1-8(2,3)7-5-6-9(7)4;1-6-4-7(2)8(3)5-6;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-8-5-6;3*1-5-3-6(7)4-8(5)2;4*1-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;2*8-9H,5-7H2,1-4H3;3*8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;3*7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;3*5-6H,3-4H2,1-2H3;4*1-2H3/t;;;;;;;;;;;;;;;;6-,7-;;;2*5-,6+;5-,6-;;;;/m................1..100..../s1
InChIKeyRAZSVJPBPHPETM-IGXFAPEJSA-N
XLogP49.11
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds3
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003329.80
LogP ≤ 549.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine (CID 160574779) is 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine is CC.CC.CC.CC.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CN2CCC1CC2.CC(C)(C)C1COC1.CC(C)(C)N1CCC1.CC(C)N1CC(C(C)(C)C)C1.CC1CC(C(C)(C)C)N(C)C1.CC1CCC(C(C)(C)C)N1C.CC1CCN(C)C(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCN1CC2(CC(C(C)(C)C)C2)C1.CN1C(CF)CCC1C(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CC(F)CCC1C(C)(C)C.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CCC(F)C1C(C)(C)C.CN1CCC1C(C)(C)C.CN1CCCC(C(C)(C)C)CC1.CN1CCCCC1C(C)(C)C.C[C@@H]1C[C@@H](C)N(C)C1.C[C@@H]1C[C@H](F)CN1C.C[C@H]1C[C@@H](F)CN1C.C[C@H]1C[C@H](F)CN1C.
What is the InChIKey of 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine?
The InChIKey is RAZSVJPBPHPETM-IGXFAPEJSA-N. The full InChI is InChI=1S/C12H23N.2C11H21N.2C11H23N.2C10H20FN.4C10H21N.C10H18O.C9H18FN.3C8H17N.2C7H15N.C7H14O.3C6H12FN.4C2H6/c1-5-13-8-12(9-13)6-10(7-12)11(2,3)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;1-9-6-7-12(5)10(8-9)11(2,3)4;1-11(2,3)10-6-5-8-12(4)9-7-10;1-10(2,3)9-6-5-8(11)7-12(9)4;1-10(2,3)9-6-5-8(7-11)12(9)4;1-8-6-9(10(2,3)4)11(5)7-8;1-8(2)11-6-9(7-11)10(3,4)5;1-8-6-7-9(11(8)5)10(2,3)4;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-7(10)5-6-11(8)4;1-8(2,3)7-5-9(4)6-7;1-7-5-9(6-7)8(2,3)4;1-8(2,3)7-5-6-9(7)4;1-6-4-7(2)8(3)5-6;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-8-5-6;3*1-5-3-6(7)4-8(5)2;4*1-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;2*8-9H,5-7H2,1-4H3;3*8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;3*7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;3*5-6H,3-4H2,1-2H3;4*1-2H3/t;;;;;;;;;;;;;;;;6-,7-;;;2*5-,6+;5-,6-;;;;/m................1..100..../s1.
What are the key properties of 3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine?
3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine has a molecular weight of 3329.80 g/mol, XLogP of 49.11, 3 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;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine is sourced from PubChem (CID 160574779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).