8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane

C113H213FN12O9 — CID 159164679

IUPAC8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
SMILESCC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(C)(F)C2.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOC2(CCC2)C1.CC(C)N1CCOC2CC21.CC(C)N1CCOCC12CC2
InChIInChI=1S/C11H21N.C10H18FN.3C10H19NO.C10H19N.4C9H17NO.2C8H15NO/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)12-5-4-10(12)6-9(3,11)7-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-9(2)11-6-7-12-10(8-11)4-3-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-7-9(10)3-4-9;1-8(2)10-5-6-11-9(7-10)3-4-9;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;4-8H2,1-3H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3
InChIKeyKKXPSIHSNJUHIO-UHFFFAOYSA-N
MW1903.02 g/mol
LogP19.15
Rot. Bonds9

About 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane

8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane (PubChem CID 159164679) has the molecular formula C113H213FN12O9 and a molecular weight of 1903.02 g/mol. Its IUPAC name is 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
PubChem CID159164679
Molecular FormulaC113H213FN12O9
Molecular Weight1903.02 g/mol
Exact Mass1901.66
IUPAC Name8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
SMILESCC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(C)(F)C2.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOC2(CCC2)C1.CC(C)N1CCOC2CC21.CC(C)N1CCOCC12CC2
InChIInChI=1S/C11H21N.C10H18FN.3C10H19NO.C10H19N.4C9H17NO.2C8H15NO/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)12-5-4-10(12)6-9(3,11)7-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-9(2)11-6-7-12-10(8-11)4-3-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-7-9(10)3-4-9;1-8(2)10-5-6-11-9(7-10)3-4-9;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;4-8H2,1-3H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3
InChIKeyKKXPSIHSNJUHIO-UHFFFAOYSA-N
XLogP19.15
TPSA121.95 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001903.02
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane (CID 159164679) is 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane is CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(C)(F)C2.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOC2(CCC2)C1.CC(C)N1CCOC2CC21.CC(C)N1CCOCC12CC2.
What is the InChIKey of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is KKXPSIHSNJUHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H18FN.3C10H19NO.C10H19N.4C9H17NO.2C8H15NO/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)12-5-4-10(12)6-9(3,11)7-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-9(2)11-6-7-12-10(8-11)4-3-5-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-7(2)10-5-9-4-3-8(10)6-11-9;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-7-9(10)3-4-9;1-8(2)10-5-6-11-9(7-10)3-4-9;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;4-8H2,1-3H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3.
What are the key properties of 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane?
8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 1903.02 g/mol, XLogP of 19.15, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azaspiro[2.4]heptane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;8-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 159164679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).