5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)

C83H172N6 — CID 158183093

IUPAC5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)
SMILESCC(C)(C)N1CCCC2(CC2)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/C11H21N.3C10H19N.2C9H17N.6C4H10/c1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-9(2)11-7-6-10(8-11)4-3-5-10;2*1-8(2)10-6-5-9(7-10)3-4-9;6*1-4(2)3/h4-9H2,1-3H3;3*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3
InChIKeyFYVHSBHQTOIYSC-UHFFFAOYSA-N
MW1254.33 g/mol
LogP23.21
Rot. Bonds5

About 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)

5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) (PubChem CID 158183093) has the molecular formula C83H172N6 and a molecular weight of 1254.33 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane).

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)
PubChem CID158183093
Molecular FormulaC83H172N6
Molecular Weight1254.33 g/mol
Exact Mass1253.36
IUPAC Name5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)
SMILESCC(C)(C)N1CCCC2(CC2)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/C11H21N.3C10H19N.2C9H17N.6C4H10/c1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-9(2)11-7-6-10(8-11)4-3-5-10;2*1-8(2)10-6-5-9(7-10)3-4-9;6*1-4(2)3/h4-9H2,1-3H3;3*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3
InChIKeyFYVHSBHQTOIYSC-UHFFFAOYSA-N
XLogP23.21
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001254.33
LogP ≤ 523.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) with MolForge

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Related Compounds

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
Hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)
CID 158441639
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
Methane;tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
CID 159473326
(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
Hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);bis(5-propan-2-yl-5-azaspiro[2.5]octane);bis(6-propan-2-yl-6-azaspiro[3.4]octane)
CID 161132003
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;1,2-ditert-butylpyrrolidine
CID 161359078
Tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
CID 161425992

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) (CID 158183093) is 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane).
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) is CC(C)(C)N1CCCC2(CC2)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)?
The InChIKey is FYVHSBHQTOIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.3C10H19N.2C9H17N.6C4H10/c1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-9(2)11-7-6-10(8-11)4-3-5-10;2*1-8(2)10-6-5-9(7-10)3-4-9;6*1-4(2)3/h4-9H2,1-3H3;3*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3.
What are the key properties of 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)?
5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) has a molecular weight of 1254.33 g/mol, XLogP of 23.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.5]octane;hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane) is sourced from PubChem (CID 158183093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).