4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine

C256H514N22O18 — CID 159741299

IUPAC4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCNC12CCOCC2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNC12CCOCC2.CCN1CC=C(C(C)(C)C)C12CCOCC2.CCN1CC=C(C(C)(C)C)[C@@]12CCOC2.CCN1CC=C(C(C)(C)C)[C@]12CCOC2.CCN1CCC(C(C)(C)C)C12CCOC2.CCN1CCC(C(C)(C)C)C12CCOCC2.CCN1CC[C@@H](C)C12CCOCC2.CCN1CC[C@@H](C)[C@@]12CCOC2.CCN1CC[C@@H](C)[C@]12CCOC2.CCN1CC[C@H](C)C12CCOCC2.CCN1CC[C@H](C)[C@@]12CCOC2.CCN1CC[C@H](C)[C@]12CCOC2.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C12CCOCC2.C[C@@H]1CCN(C)C1.C[C@@H]1CCN(C)C12CCOCC2.C[C@@H]1CCNC1.C[C@@H]1CCNC12CCOCC2.C[C@H]1CCN(C)C12CCOCC2.C[C@H]1CCNC12CCOCC2
InChIInChI=1S/C14H27NO.C14H25NO.2C13H25NO.2C13H23NO.C12H23NO.C12H21NO.2C11H21NO.6C10H19NO.2C9H17NO.C9H19N.C8H17N.C6H13N.C5H11N.12C2H6/c2*1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14;1-12(2,3)11-5-8-14(4)13(11)6-9-15-10-7-13;3*1-5-14-8-6-11(12(2,3)4)13(14)7-9-15-10-13;2*1-11(2,3)10-4-7-13-12(10)5-8-14-9-6-12;2*1-3-12-7-4-10(2)11(12)5-8-13-9-6-11;2*1-9-3-6-11(2)10(9)4-7-12-8-5-10;4*1-3-11-6-4-9(2)10(11)5-7-12-8-10;2*1-8-2-5-10-9(8)3-6-11-7-4-9;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-4-5-9-6-7;1-6-3-4-7(2)5-6;1-5-2-3-6-4-5;12*1-2/h12H,5-11H2,1-4H3;6H,5,7-11H2,1-4H3;2*11H,5-10H2,1-4H3;2*6H,5,7-10H2,1-4H3;10,13H,4-9H2,1-3H3;4,13H,5-9H2,1-3H3;2*10H,3-9H2,1-2H3;6*9H,3-8H2,1-2H3;2*8,10H,2-7H2,1H3;8H,5-7H2,1-4H3;7,9H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;12*1-2H3/t;;;;2*13-;;;2*10-;2*9-;2*9-,10+;2*9-,10-;2*8-;;;6-;5-;;;;;;;;;;;;/m....10..1010101010..11............/s1
InChIKeyNCMKGNVKGHRYSH-RVFGYPNXSA-N
MW4189.06 g/mol
LogP52.73
Rot. Bonds11

About 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine

4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine (PubChem CID 159741299) has the molecular formula C256H514N22O18 and a molecular weight of 4189.06 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine
PubChem CID159741299
Molecular FormulaC256H514N22O18
Molecular Weight4189.06 g/mol
Exact Mass4186.00
IUPAC Name4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCNC12CCOCC2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNC12CCOCC2.CCN1CC=C(C(C)(C)C)C12CCOCC2.CCN1CC=C(C(C)(C)C)[C@@]12CCOC2.CCN1CC=C(C(C)(C)C)[C@]12CCOC2.CCN1CCC(C(C)(C)C)C12CCOC2.CCN1CCC(C(C)(C)C)C12CCOCC2.CCN1CC[C@@H](C)C12CCOCC2.CCN1CC[C@@H](C)[C@@]12CCOC2.CCN1CC[C@@H](C)[C@]12CCOC2.CCN1CC[C@H](C)C12CCOCC2.CCN1CC[C@H](C)[C@@]12CCOC2.CCN1CC[C@H](C)[C@]12CCOC2.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C12CCOCC2.C[C@@H]1CCN(C)C1.C[C@@H]1CCN(C)C12CCOCC2.C[C@@H]1CCNC1.C[C@@H]1CCNC12CCOCC2.C[C@H]1CCN(C)C12CCOCC2.C[C@H]1CCNC12CCOCC2
InChIInChI=1S/C14H27NO.C14H25NO.2C13H25NO.2C13H23NO.C12H23NO.C12H21NO.2C11H21NO.6C10H19NO.2C9H17NO.C9H19N.C8H17N.C6H13N.C5H11N.12C2H6/c2*1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14;1-12(2,3)11-5-8-14(4)13(11)6-9-15-10-7-13;3*1-5-14-8-6-11(12(2,3)4)13(14)7-9-15-10-13;2*1-11(2,3)10-4-7-13-12(10)5-8-14-9-6-12;2*1-3-12-7-4-10(2)11(12)5-8-13-9-6-11;2*1-9-3-6-11(2)10(9)4-7-12-8-5-10;4*1-3-11-6-4-9(2)10(11)5-7-12-8-10;2*1-8-2-5-10-9(8)3-6-11-7-4-9;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-4-5-9-6-7;1-6-3-4-7(2)5-6;1-5-2-3-6-4-5;12*1-2/h12H,5-11H2,1-4H3;6H,5,7-11H2,1-4H3;2*11H,5-10H2,1-4H3;2*6H,5,7-10H2,1-4H3;10,13H,4-9H2,1-3H3;4,13H,5-9H2,1-3H3;2*10H,3-9H2,1-2H3;6*9H,3-8H2,1-2H3;2*8,10H,2-7H2,1H3;8H,5-7H2,1-4H3;7,9H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;12*1-2H3/t;;;;2*13-;;;2*10-;2*9-;2*9-,10+;2*9-,10-;2*8-;;;6-;5-;;;;;;;;;;;;/m....10..1010101010..11............/s1
InChIKeyNCMKGNVKGHRYSH-RVFGYPNXSA-N
XLogP52.73
TPSA290.16 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds11
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004189.06
LogP ≤ 552.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine with MolForge

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What is the IUPAC name of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine?
The IUPAC name of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine (CID 159741299) is 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine.
What is the SMILES notation for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine?
The canonical SMILES for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCNC12CCOCC2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNC12CCOCC2.CCN1CC=C(C(C)(C)C)C12CCOCC2.CCN1CC=C(C(C)(C)C)[C@@]12CCOC2.CCN1CC=C(C(C)(C)C)[C@]12CCOC2.CCN1CCC(C(C)(C)C)C12CCOC2.CCN1CCC(C(C)(C)C)C12CCOCC2.CCN1CC[C@@H](C)C12CCOCC2.CCN1CC[C@@H](C)[C@@]12CCOC2.CCN1CC[C@@H](C)[C@]12CCOC2.CCN1CC[C@H](C)C12CCOCC2.CCN1CC[C@H](C)[C@@]12CCOC2.CCN1CC[C@H](C)[C@]12CCOC2.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C12CCOCC2.C[C@@H]1CCN(C)C1.C[C@@H]1CCN(C)C12CCOCC2.C[C@@H]1CCNC1.C[C@@H]1CCNC12CCOCC2.C[C@H]1CCN(C)C12CCOCC2.C[C@H]1CCNC12CCOCC2.
What is the InChIKey of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine?
The InChIKey is NCMKGNVKGHRYSH-RVFGYPNXSA-N. The full InChI is InChI=1S/C14H27NO.C14H25NO.2C13H25NO.2C13H23NO.C12H23NO.C12H21NO.2C11H21NO.6C10H19NO.2C9H17NO.C9H19N.C8H17N.C6H13N.C5H11N.12C2H6/c2*1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14;1-12(2,3)11-5-8-14(4)13(11)6-9-15-10-7-13;3*1-5-14-8-6-11(12(2,3)4)13(14)7-9-15-10-13;2*1-11(2,3)10-4-7-13-12(10)5-8-14-9-6-12;2*1-3-12-7-4-10(2)11(12)5-8-13-9-6-11;2*1-9-3-6-11(2)10(9)4-7-12-8-5-10;4*1-3-11-6-4-9(2)10(11)5-7-12-8-10;2*1-8-2-5-10-9(8)3-6-11-7-4-9;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-4-5-9-6-7;1-6-3-4-7(2)5-6;1-5-2-3-6-4-5;12*1-2/h12H,5-11H2,1-4H3;6H,5,7-11H2,1-4H3;2*11H,5-10H2,1-4H3;2*6H,5,7-10H2,1-4H3;10,13H,4-9H2,1-3H3;4,13H,5-9H2,1-3H3;2*10H,3-9H2,1-2H3;6*9H,3-8H2,1-2H3;2*8,10H,2-7H2,1H3;8H,5-7H2,1-4H3;7,9H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;12*1-2H3/t;;;;2*13-;;;2*10-;2*9-;2*9-,10+;2*9-,10-;2*8-;;;6-;5-;;;;;;;;;;;;/m....10..1010101010..11............/s1.
What are the key properties of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine?
4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine has a molecular weight of 4189.06 g/mol, XLogP of 52.73, 11 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine is sourced from PubChem (CID 159741299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).