2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine

C89H180N6 — CID 160765447

IUPAC2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)CC1.CC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C17H35N.C15H29N.C15H31N.C14H27N.2C14H29N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-13(2,3)12-8-7-10-15(11-9-12)14(4,5)6/h11-15H,1-10H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,7-9H2,1-6H3;11-12H,8-10H2,1-7H3;12H,7-11H2,1-6H3
InChIKeyRYPXURKHNTUNDQ-UHFFFAOYSA-N
MW1334.46 g/mol
LogP24.61
Rot. Bonds

About 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine

2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine (PubChem CID 160765447) has the molecular formula C89H180N6 and a molecular weight of 1334.46 g/mol. Its IUPAC name is 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine.

Molecular Properties

Compound Name2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
PubChem CID160765447
Molecular FormulaC89H180N6
Molecular Weight1334.46 g/mol
Exact Mass1333.43
IUPAC Name2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)CC1.CC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C17H35N.C15H29N.C15H31N.C14H27N.2C14H29N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-13(2,3)12-8-7-10-15(11-9-12)14(4,5)6/h11-15H,1-10H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,7-9H2,1-6H3;11-12H,8-10H2,1-7H3;12H,7-11H2,1-6H3
InChIKeyRYPXURKHNTUNDQ-UHFFFAOYSA-N
XLogP24.61
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.46
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylpiperidine;ethane
CID 159924688
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
8-Tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161213305
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161518985
8-Methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 161642192
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butylpiperidine;ethane
CID 161644492
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butylpiperidine;ethane
CID 161948535

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The IUPAC name of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine (CID 160765447) is 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine.
What is the SMILES notation for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The canonical SMILES for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine is CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)CC1.CC1C(C)N(C(C)(C)C)C(C)C(C)C1C(C)(C)C.CC1CC(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
The InChIKey is RYPXURKHNTUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.C15H29N.C15H31N.C14H27N.2C14H29N/c1-11-13(3)18(17(8,9)10)14(4)12(2)15(11)16(5,6)7;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-13(2,3)12-8-7-10-15(11-9-12)14(4,5)6/h11-15H,1-10H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,7-9H2,1-6H3;11-12H,8-10H2,1-7H3;12H,7-11H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine?
2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine has a molecular weight of 1334.46 g/mol, XLogP of 24.61, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine is sourced from PubChem (CID 160765447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).