3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane

C29H54N2 — CID 155141370

IUPAC3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CCC(C1)N2C(C)(C)CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C29H54N2/c1-26(2,3)22-15-23-13-14-24(16-22)31(23)29(9,10)19-28(7,8)25-20-11-12-21(25)18-30(17-20)27(4,5)6/h20-25H,11-19H2,1-10H3
InChIKeyIMBWWXVYACXKEH-UHFFFAOYSA-N
MW430.77 g/mol
LogP7.23
Rot. Bonds4

About 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane

3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 155141370) has the molecular formula C29H54N2 and a molecular weight of 430.77 g/mol. Its IUPAC name is 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane
PubChem CID155141370
Molecular FormulaC29H54N2
Molecular Weight430.77 g/mol
Exact Mass430.43
IUPAC Name3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CCC(C1)N2C(C)(C)CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C29H54N2/c1-26(2,3)22-15-23-13-14-24(16-22)31(23)29(9,10)19-28(7,8)25-20-11-12-21(25)18-30(17-20)27(4,5)6/h20-25H,11-19H2,1-10H3
InChIKeyIMBWWXVYACXKEH-UHFFFAOYSA-N
XLogP7.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.77
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane (CID 155141370) is 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane is CC(C)(C)C1CC2CCC(C1)N2C(C)(C)CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is IMBWWXVYACXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2/c1-26(2,3)22-15-23-13-14-24(16-22)31(23)29(9,10)19-28(7,8)25-20-11-12-21(25)18-30(17-20)27(4,5)6/h20-25H,11-19H2,1-10H3.
What are the key properties of 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane?
3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 430.77 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 155141370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).