1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane

C303H592N26 — CID 165050916

IUPAC1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane
SMILESCC(C)(C)C12CCCC1C2.CC(C)(C)C12CCCCC1C2.CC(C)(C)C12CNCCC1C2.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCC2(CC2)NC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC2(CC2)C1.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCCC12CC2.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CNCC12CC2.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC12CC2.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCNCC1
InChIInChI=1S/2C12H22.6C11H21N.3C11H20.5C10H19N.C10H21N.C10H18.C9H18N2.2C9H17N.4C9H19N.C9H18.C8H18N2.2C8H17N.2C7H15N/c1-11(2,3)10-5-4-6-12(9-10)7-8-12;1-11(2,3)10-6-4-5-7-12(10)8-9-12;2*1-10(2,3)9-4-7-12-8-11(9)5-6-11;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)9-4-5-11(6-7-11)12-8-9;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-10(2,3)12-9-5-4-6-11(12)7-8-11;2*1-11(2,3)10-6-4-5-8-7-9(8)10;1-10(2,3)11-7-5-4-6-9(11)8-11;1-9(2,3)8-6-11-7-10(8)4-5-10;1-10(2,3)11-5-4-8-6-9(8)7-11;1-9(2,3)10-6-8(10)4-5-11-7-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-6-4-5-8(10)7-10;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;2*9,12H,4-8H2,1-3H3;4-9H2,1-3H3;9,12H,4-8H2,1-3H3;2*4-9H2,1-3H3;2*8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*4-6H2,1-3H3
InChIKeyPQKDUAMNTGBIRB-UHFFFAOYSA-N
MW4600.25 g/mol
LogP73.84
Rot. Bonds

About 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane

1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane (PubChem CID 165050916) has the molecular formula C303H592N26 and a molecular weight of 4600.25 g/mol. Its IUPAC name is 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane.

Molecular Properties

Compound Name1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane
PubChem CID165050916
Molecular FormulaC303H592N26
Molecular Weight4600.25 g/mol
Exact Mass4596.71
IUPAC Name1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane
SMILESCC(C)(C)C12CCCC1C2.CC(C)(C)C12CCCCC1C2.CC(C)(C)C12CNCCC1C2.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCC2(CC2)NC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC2(CC2)C1.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCCC12CC2.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CNCC12CC2.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC12CC2.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCNCC1
InChIInChI=1S/2C12H22.6C11H21N.3C11H20.5C10H19N.C10H21N.C10H18.C9H18N2.2C9H17N.4C9H19N.C9H18.C8H18N2.2C8H17N.2C7H15N/c1-11(2,3)10-5-4-6-12(9-10)7-8-12;1-11(2,3)10-6-4-5-7-12(10)8-9-12;2*1-10(2,3)9-4-7-12-8-11(9)5-6-11;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)9-4-5-11(6-7-11)12-8-9;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-10(2,3)12-9-5-4-6-11(12)7-8-11;2*1-11(2,3)10-6-4-5-8-7-9(8)10;1-10(2,3)11-7-5-4-6-9(11)8-11;1-9(2,3)8-6-11-7-10(8)4-5-10;1-10(2,3)11-5-4-8-6-9(8)7-11;1-9(2,3)10-6-8(10)4-5-11-7-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-6-4-5-8(10)7-10;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;2*9,12H,4-8H2,1-3H3;4-9H2,1-3H3;9,12H,4-8H2,1-3H3;2*4-9H2,1-3H3;2*8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*4-6H2,1-3H3
InChIKeyPQKDUAMNTGBIRB-UHFFFAOYSA-N
XLogP73.84
TPSA189.72 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004600.25
LogP ≤ 573.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane with MolForge

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Related Compounds

ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159090474
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159732755
(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 159985301
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;tris(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160318583

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane?
The IUPAC name of 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane (CID 165050916) is 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane.
What is the SMILES notation for 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane?
The canonical SMILES for 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane is CC(C)(C)C12CCCC1C2.CC(C)(C)C12CCCCC1C2.CC(C)(C)C12CNCCC1C2.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCC2(CC2)NC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC2(CC2)C1.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCC2CC21.CC(C)(C)C1CCCCC12CC2.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CCNCC12CC2.CC(C)(C)C1CNCC12CC2.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2CC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2CC21.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC12CC2.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCNCC1.
What is the InChIKey of 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane?
The InChIKey is PQKDUAMNTGBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22.6C11H21N.3C11H20.5C10H19N.C10H21N.C10H18.C9H18N2.2C9H17N.4C9H19N.C9H18.C8H18N2.2C8H17N.2C7H15N/c1-11(2,3)10-5-4-6-12(9-10)7-8-12;1-11(2,3)10-6-4-5-7-12(10)8-9-12;2*1-10(2,3)9-4-7-12-8-11(9)5-6-11;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)9-4-5-11(6-7-11)12-8-9;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-10(2,3)12-9-5-4-6-11(12)7-8-11;2*1-11(2,3)10-6-4-5-8-7-9(8)10;1-10(2,3)11-7-5-4-6-9(11)8-11;1-9(2,3)8-6-11-7-10(8)4-5-10;1-10(2,3)11-5-4-8-6-9(8)7-11;1-9(2,3)10-6-8(10)4-5-11-7-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)11-6-4-5-8-7-9(8)11;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-6-4-5-8(10)7-10;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;2*9,12H,4-8H2,1-3H3;4-9H2,1-3H3;9,12H,4-8H2,1-3H3;2*4-9H2,1-3H3;2*8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;8-9H,4-7H2,1-3H3;4-9H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane?
1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane has a molecular weight of 4600.25 g/mol, XLogP of 73.84, 0 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane is sourced from PubChem (CID 165050916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).