2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane

C126H237F6N13O — CID 161009480

IUPAC2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)C1C2CCC1NC2.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23N.C11H19F2N.2C11H21N.3C10H19N.C9H15F2N.C9H17NO.2C9H17N.C8H17N.C7H13F2N/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)9-7-4-5-8(9)11-6-7;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(6-10)11-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-9,11H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;;;;7-,8+;;;;
InChIKeyTWYFKWZMBWBTSH-SIAUIEPBSA-N
MW2064.36 g/mol
LogP28.18
Rot. Bonds

About 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane

2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 161009480) has the molecular formula C126H237F6N13O and a molecular weight of 2064.36 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID161009480
Molecular FormulaC126H237F6N13O
Molecular Weight2064.36 g/mol
Exact Mass2062.88
IUPAC Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)C1C2CCC1NC2.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23N.C11H19F2N.2C11H21N.3C10H19N.C9H15F2N.C9H17NO.2C9H17N.C8H17N.C7H13F2N/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)9-7-4-5-8(9)11-6-7;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(6-10)11-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-9,11H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;;;;7-,8+;;;;
InChIKeyTWYFKWZMBWBTSH-SIAUIEPBSA-N
XLogP28.18
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.36
LogP ≤ 528.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane;(1S,5R)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;1-tert-butyl-3-(trifluoromethyl)azetidine;methane
CID 160820935

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane (CID 161009480) is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane is CC(C)(C)C1C2CCC1NC2.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CC1C2.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC1)CC2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1CN(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is TWYFKWZMBWBTSH-SIAUIEPBSA-N. The full InChI is InChI=1S/C12H23N.C11H19F2N.2C11H21N.3C10H19N.C9H15F2N.C9H17NO.2C9H17N.C8H17N.C7H13F2N/c1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-9(2,3)14-6-4-10(5-7-14)8-11(10,12)13;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-10(2,3)9-7-4-5-8(9)11-6-7;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-9(2,3)10-5-7-4-8(6-10)11-7;1-9(2,3)10-5-7-4-8(7)6-10;1-9(2,3)10-6-7-4-8(10)5-7;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10/h4-10H2,1-3H3;4-8H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-9,11H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;;;;7-,8+;;;;.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane?
2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 2064.36 g/mol, XLogP of 28.18, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.1.1]hexane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[4.4]nonane;6-tert-butyl-6-azaspiro[2.5]octane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-tert-butyl-2,2-difluoro-6-azaspiro[2.5]octane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-methylazetidine;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 161009480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).