3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine

C61H123N5 — CID 164999707

IUPAC3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H29N.C13H25N.C12H25N.C11H23N.C10H21N/c1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h11-13H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3
InChIKeyIBNQQMAYQBDNMJ-UHFFFAOYSA-N
MW926.69 g/mol
LogP15.66
Rot. Bonds8

About 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine

3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine (PubChem CID 164999707) has the molecular formula C61H123N5 and a molecular weight of 926.69 g/mol. Its IUPAC name is 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
PubChem CID164999707
Molecular FormulaC61H123N5
Molecular Weight926.69 g/mol
Exact Mass925.98
IUPAC Name3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H29N.C13H25N.C12H25N.C11H23N.C10H21N/c1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h11-13H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3
InChIKeyIBNQQMAYQBDNMJ-UHFFFAOYSA-N
XLogP15.66
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.69
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine with MolForge

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Related Compounds

2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 157188565
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
1,4-Diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane
CID 159089412
1,2-Ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159835138
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
3,8-Di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160202769
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 160505363
3-Tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine
CID 160707669
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 161241847
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 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine (CID 164999707) is 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine is CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine?
The InChIKey is IBNQQMAYQBDNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C13H25N.C12H25N.C11H23N.C10H21N/c1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h11-13H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3.
What are the key properties of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine?
3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 926.69 g/mol, XLogP of 15.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)azepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 164999707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).