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)

C82H170N6 — CID 161132003

IUPAChexakis(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)
SMILESCC(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.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/4C10H19N.2C9H17N.6C4H10/c2*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*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3
InChIKeyUMHUIEVLCGFLRD-UHFFFAOYSA-N
MW1240.30 g/mol
LogP22.82
Rot. Bonds6

About 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)

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) (PubChem CID 161132003) has the molecular formula C82H170N6 and a molecular weight of 1240.30 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namehexakis(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)
PubChem CID161132003
Molecular FormulaC82H170N6
Molecular Weight1240.30 g/mol
Exact Mass1239.35
IUPAC Namehexakis(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)
SMILESCC(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.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/4C10H19N.2C9H17N.6C4H10/c2*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*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3
InChIKeyUMHUIEVLCGFLRD-UHFFFAOYSA-N
XLogP22.82
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001240.30
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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) with MolForge

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Related Compounds

Ethane;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 157312956
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
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
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
3,3-Dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))
CID 159509561
(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
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 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is 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.CC(C)N1CCCC2(CC2)C1.
What is the InChIKey of 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)?
The InChIKey is UMHUIEVLCGFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H19N.2C9H17N.6C4H10/c2*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*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;6*4H,1-3H3.
What are the key properties of 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)?
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) has a molecular weight of 1240.30 g/mol, XLogP of 22.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161132003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).