8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine

C55H112N4 — CID 158808395

IUPAC8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C16H31N.C14H29N.C13H27N.C12H25N/c1-15(2,3)11-12-9-13-7-8-14(10-12)17(13)16(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-12(2,3)9-11-7-8-14(10-11)13(4,5)6;1-11(2,3)7-10-8-13(9-10)12(4,5)6/h12-14H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyIUJGTDQIYIAMJE-UHFFFAOYSA-N
MW829.53 g/mol
LogP15.09
Rot. Bonds4

About 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine

8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 158808395) has the molecular formula C55H112N4 and a molecular weight of 829.53 g/mol. Its IUPAC name is 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine
PubChem CID158808395
Molecular FormulaC55H112N4
Molecular Weight829.53 g/mol
Exact Mass828.89
IUPAC Name8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C16H31N.C14H29N.C13H27N.C12H25N/c1-15(2,3)11-12-9-13-7-8-14(10-12)17(13)16(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-12(2,3)9-11-7-8-14(10-11)13(4,5)6;1-11(2,3)7-10-8-13(9-10)12(4,5)6/h12-14H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyIUJGTDQIYIAMJE-UHFFFAOYSA-N
XLogP15.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.53
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine (CID 158808395) is 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CC1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CN(C(C)(C)C)C1.
What is the InChIKey of 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is IUJGTDQIYIAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C14H29N.C13H27N.C12H25N/c1-15(2,3)11-12-9-13-7-8-14(10-12)17(13)16(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-12(2,3)9-11-7-8-14(10-11)13(4,5)6;1-11(2,3)7-10-8-13(9-10)12(4,5)6/h12-14H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3.
What are the key properties of 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine?
8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 829.53 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(2,2-dimethylpropyl)-8-azabicyclo[3.2.1]octane;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 158808395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).