7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine

C58H117N7 — CID 167679580

IUPAC7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine
SMILESCC1(C)C2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCC(C)(C)CC1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCCC1(C)C
InChIInChI=1S/C10H19N.C9H17N.C8H15N.3C8H17N.C7H15N/c1-10(2)6-3-9-4-7-11(10)8-5-9;1-9(2)7-8-3-5-10(9)6-4-8;1-8(2)7-3-5-9(8)6-4-7;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-7(2)5-4-6-8(7)3/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyVICIAVSEUWRSHQ-UHFFFAOYSA-N
MW912.62 g/mol
LogP12.49
Rot. Bonds

About 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine

7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine (PubChem CID 167679580) has the molecular formula C58H117N7 and a molecular weight of 912.62 g/mol. Its IUPAC name is 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine
PubChem CID167679580
Molecular FormulaC58H117N7
Molecular Weight912.62 g/mol
Exact Mass911.94
IUPAC Name7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine
SMILESCC1(C)C2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCC(C)(C)CC1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCCC1(C)C
InChIInChI=1S/C10H19N.C9H17N.C8H15N.3C8H17N.C7H15N/c1-10(2)6-3-9-4-7-11(10)8-5-9;1-9(2)7-8-3-5-10(9)6-4-8;1-8(2)7-3-5-9(8)6-4-7;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-7(2)5-4-6-8(7)3/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyVICIAVSEUWRSHQ-UHFFFAOYSA-N
XLogP12.49
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.62
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine with MolForge

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Related Compounds

1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
CID 157322500
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
3-Tert-butyl-1-azabicyclo[2.2.1]heptane;3-tert-butyl-1-azabicyclo[3.2.2]nonane;3-tert-butyl-1-azabicyclo[3.2.1]octane;ethane
CID 157591570
Carbanide;10,12-dimethyl-6-azoniaspiro[5.6]dodecane;11,12-dimethyl-6-azoniaspiro[5.6]dodecane;6,7,8,9,10,11-hexamethyl-5-azoniaspiro[4.6]undecane;7-methyl-6-azoniaspiro[5.6]dodecane;10-methyl-6-azoniaspiro[5.6]dodecane;11-methyl-6-azoniaspiro[5.6]dodecane;6,7,9,10,11-pentamethyl-5-azoniaspiro[4.6]undecane
CID 157710910
5-Methyl-5-azaspiro[3.6]decane;bis(6-methyl-6-azaspiro[3.6]decane);bis(7-methyl-7-azaspiro[3.6]decane);bis(1-methyl-1-azaspiro[3.3]heptane);bis(2-methyl-2-azaspiro[3.3]heptane);5-methyl-5-azaspiro[3.5]nonane;bis(6-methyl-6-azaspiro[3.5]nonane);bis(7-methyl-7-azaspiro[3.5]nonane);5-methyl-5-azaspiro[3.4]octane;bis(6-methyl-6-azaspiro[3.4]octane)
CID 157774068
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
CID 158654218
(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
3,5-Dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
CID 158907796
1-Tert-butyl-2-(2,2-dimethylpropyl)-2,5-dimethanidylpyrrolidine;1-tert-butyl-2-(2,2-dimethylpropyl)-2-methanidylpiperidin-4-ide;1-tert-butyl-2-(2,2-dimethylpropyl)-6-methanidylpiperidin-3-ide;1-tert-butyl-2-(2,2-dimethylpropyl)-5-methylpiperidin-3-ide;tetrakis(yttrium)
CID 159215023
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;ethane
CID 159665952
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane
CID 159956624

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine?
The IUPAC name of 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine (CID 167679580) is 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine.
What is the SMILES notation for 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine?
The canonical SMILES for 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine is CC1(C)C2CCN1CC2.CC1(C)CC2CCN1CC2.CC1(C)CCC2CCN1CC2.CN1CCC(C)(C)CC1.CN1CCCC(C)(C)C1.CN1CCCC1(C)C.CN1CCCCC1(C)C.
What is the InChIKey of 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine?
The InChIKey is VICIAVSEUWRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H17N.C8H15N.3C8H17N.C7H15N/c1-10(2)6-3-9-4-7-11(10)8-5-9;1-9(2)7-8-3-5-10(9)6-4-8;1-8(2)7-3-5-9(8)6-4-7;1-8(2)4-6-9(3)7-5-8;1-8(2)5-4-6-9(3)7-8;1-8(2)6-4-5-7-9(8)3;1-7(2)5-4-6-8(7)3/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*4-7H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine?
7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine has a molecular weight of 912.62 g/mol, XLogP of 12.49, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 167679580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).