2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine

C92H180FN7 — CID 159121873

IUPAC2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine
SMILESCC(C)(C)C1C2CC2CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CC2(CC2)CN1C(C)(C)C.CC(C)(C)C1CC2CC2N1C(C)(C)C.CC(C)(C)C1CCC2(CC2)N1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1N(C(C)(C)C)CCC12CC2
InChIInChI=1S/3C14H27N.2C13H25N.C12H24FN.C12H25N/c1-12(2,3)11-9-14(7-8-14)10-15(11)13(4,5)6;1-12(2,3)11-14(7-8-14)9-10-15(11)13(4,5)6;1-12(2,3)11-7-8-14(9-10-14)15(11)13(4,5)6;1-12(2,3)11-10-7-9(10)8-14(11)13(4,5)6;1-12(2,3)11-8-9-7-10(9)14(11)13(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h3*11H,7-10H2,1-6H3;2*9-11H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyKFUHMYDKBCMANR-UHFFFAOYSA-N
MW1403.50 g/mol
LogP24.18
Rot. Bonds

About 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine

2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine (PubChem CID 159121873) has the molecular formula C92H180FN7 and a molecular weight of 1403.50 g/mol. Its IUPAC name is 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine.

Molecular Properties

Compound Name2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine
PubChem CID159121873
Molecular FormulaC92H180FN7
Molecular Weight1403.50 g/mol
Exact Mass1402.43
IUPAC Name2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine
SMILESCC(C)(C)C1C2CC2CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CC2(CC2)CN1C(C)(C)C.CC(C)(C)C1CC2CC2N1C(C)(C)C.CC(C)(C)C1CCC2(CC2)N1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1N(C(C)(C)C)CCC12CC2
InChIInChI=1S/3C14H27N.2C13H25N.C12H24FN.C12H25N/c1-12(2,3)11-9-14(7-8-14)10-15(11)13(4,5)6;1-12(2,3)11-14(7-8-14)9-10-15(11)13(4,5)6;1-12(2,3)11-7-8-14(9-10-14)15(11)13(4,5)6;1-12(2,3)11-10-7-9(10)8-14(11)13(4,5)6;1-12(2,3)11-8-9-7-10(9)14(11)13(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h3*11H,7-10H2,1-6H3;2*9-11H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyKFUHMYDKBCMANR-UHFFFAOYSA-N
XLogP24.18
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.50
LogP ≤ 524.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine with MolForge

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Related Compounds

4,5-Ditert-butyl-6-[2-[3-tert-butyl-4-[2-(1-tert-butyl-4-fluoropyrrolidin-2-yl)-2-methylpropyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-methylpropyl]-5-azaspiro[2.4]heptane
CID 135171813
4,5-Ditert-butyl-6-[2-[3-tert-butyl-4-[2-(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-methylpropyl]-5-azaspiro[2.4]heptane
CID 135182783
(2S)-4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;(2S)-4,4-dimethyl-1,2-di(propan-2-yl)pyrrolidine;(1S,3S,5S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(6S)-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(2S,4S)-4-methyl-1,2-di(propan-2-yl)pyrrolidine;(2S,4R)-4-methyl-1,2-di(propan-2-yl)pyrrolidine;(2S,5S)-2-methyl-1,5-di(propan-2-yl)pyrrolidine
CID 167581146
2,3-Ditert-butyl-6-[2-[3-tert-butyl-6-[2-(1-tert-butylpyrrolidin-2-yl)-2-methylpropyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-methylpropyl]-3-azabicyclo[3.1.0]hexane
CID 134200210
(1S,4R,5R)-4-ethyl-1,3-dimethyl-3-azabicyclo[3.1.0]hexane;8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;5-ethyl-4-methyl-4-azaspiro[2.4]heptane;methane;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 157535772
2,3-Di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane;2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane;4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)pyrrolidine
CID 157723657
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine
CID 157735674
2,3-Ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;1,2-ditert-butyl-4-fluoropyrrolidine;bis(1,2-ditert-butylpyrrolidine);fluoromethane
CID 158038274
2,3-Ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;1,2-ditert-butyl-5-methylpyrrolidine;bis(1,2-ditert-butylpyrrolidine);ethane
CID 158546855
(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane
CID 160062515
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
CID 160114554
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
CID 160401912

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine?
The IUPAC name of 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine (CID 159121873) is 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine.
What is the SMILES notation for 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine?
The canonical SMILES for 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine is CC(C)(C)C1C2CC2CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CC2(CC2)CN1C(C)(C)C.CC(C)(C)C1CC2CC2N1C(C)(C)C.CC(C)(C)C1CCC2(CC2)N1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1N(C(C)(C)C)CCC12CC2.
What is the InChIKey of 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine?
The InChIKey is KFUHMYDKBCMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H27N.2C13H25N.C12H24FN.C12H25N/c1-12(2,3)11-9-14(7-8-14)10-15(11)13(4,5)6;1-12(2,3)11-14(7-8-14)9-10-15(11)13(4,5)6;1-12(2,3)11-7-8-14(9-10-14)15(11)13(4,5)6;1-12(2,3)11-10-7-9(10)8-14(11)13(4,5)6;1-12(2,3)11-8-9-7-10(9)14(11)13(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h3*11H,7-10H2,1-6H3;2*9-11H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine?
2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine has a molecular weight of 1403.50 g/mol, XLogP of 24.18, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;4,5-ditert-butyl-4-azaspiro[2.4]heptane;4,5-ditert-butyl-5-azaspiro[2.4]heptane;5,6-ditert-butyl-5-azaspiro[2.4]heptane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine is sourced from PubChem (CID 159121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).