bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)

C116H230N14 — CID 167682291

IUPACbis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)
SMILESCC1(C)C2CCN1CC2.CC1(C)C2CCN1CC2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCCC(C)(C)C1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCC1(C)C.CN1CCCCC1(C)C.CN1CCCCC1(C)C
InChIInChI=1S/2C10H19N.2C9H17N.4C8H15N.4C8H17N.2C7H15N/c2*1-10(2)6-3-9-4-7-11(10)8-5-9;2*1-9(2)7-8-3-5-10(9)6-4-8;2*1-8(2)7-3-5-9(8)6-4-7;2*1-8(2)5-7-3-4-9(8)6-7;2*1-8(2)5-4-6-9(3)7-8;2*1-8(2)6-4-5-7-9(8)3;2*1-7(2)5-4-6-8(7)3/h2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;4*4-7H2,1-3H3;2*4-6H2,1-3H3
InChIKeyVSFJBJSMMSBAOP-UHFFFAOYSA-N
MW1821.21 g/mol
LogP24.48
Rot. Bonds

About bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)

bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) (PubChem CID 167682291) has the molecular formula C116H230N14 and a molecular weight of 1821.21 g/mol. Its IUPAC name is bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine).

Molecular Properties

Compound Namebis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)
PubChem CID167682291
Molecular FormulaC116H230N14
Molecular Weight1821.21 g/mol
Exact Mass1819.84
IUPAC Namebis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)
SMILESCC1(C)C2CCN1CC2.CC1(C)C2CCN1CC2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCCC(C)(C)C1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCC1(C)C.CN1CCCCC1(C)C.CN1CCCCC1(C)C
InChIInChI=1S/2C10H19N.2C9H17N.4C8H15N.4C8H17N.2C7H15N/c2*1-10(2)6-3-9-4-7-11(10)8-5-9;2*1-9(2)7-8-3-5-10(9)6-4-8;2*1-8(2)7-3-5-9(8)6-4-7;2*1-8(2)5-7-3-4-9(8)6-7;2*1-8(2)5-4-6-9(3)7-8;2*1-8(2)6-4-5-7-9(8)3;2*1-7(2)5-4-6-8(7)3/h2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;4*4-7H2,1-3H3;2*4-6H2,1-3H3
InChIKeyVSFJBJSMMSBAOP-UHFFFAOYSA-N
XLogP24.48
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.21
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) with MolForge

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Related Compounds

(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 157214386
(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;ethane
CID 157266442
methane;(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 157496758
(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;methane
CID 157615650
Carbanide;6,7,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;7,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,10-trimethyl-5-azoniaspiro[4.5]decane;6,9,10-trimethyl-5-azoniaspiro[4.5]decane;7,8,9-trimethyl-5-azoniaspiro[4.5]decane;7,8,10-trimethyl-5-azoniaspiro[4.5]decane
CID 158202630
1,2-Ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane
CID 158321103
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);2,6-dimethyl-2,6-diazaspiro[4.5]decane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane)
CID 158346002
1,4-Di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.1]heptane;1,5-di(propan-2-yl)-1-azoniabicyclo[3.3.1]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;5-methyl-2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
CID 158581663
(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 158712910
(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 158712911
2,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
CID 158820059
2,5-di(propan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane
CID 158877274

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)?
The IUPAC name of bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) (CID 167682291) is bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine).
What is the SMILES notation for bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)?
The canonical SMILES for bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) is CC1(C)C2CCN1CC2.CC1(C)C2CCN1CC2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1C2.CC1(C)CC2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCCC(C)(C)C1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCC1(C)C.CN1CCCCC1(C)C.CN1CCCCC1(C)C.
What is the InChIKey of bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)?
The InChIKey is VSFJBJSMMSBAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2C9H17N.4C8H15N.4C8H17N.2C7H15N/c2*1-10(2)6-3-9-4-7-11(10)8-5-9;2*1-9(2)7-8-3-5-10(9)6-4-8;2*1-8(2)7-3-5-9(8)6-4-7;2*1-8(2)5-7-3-4-9(8)6-7;2*1-8(2)5-4-6-9(3)7-8;2*1-8(2)6-4-5-7-9(8)3;2*1-7(2)5-4-6-8(7)3/h2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;4*4-7H2,1-3H3;2*4-6H2,1-3H3.
What are the key properties of bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)?
bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) has a molecular weight of 1821.21 g/mol, XLogP of 24.48, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine) is sourced from PubChem (CID 167682291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).