1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane

C17H33N — CID 134467071

IUPAC1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane
SMILESCC(C)C12CCCCCCCCC(C(C)C)(C1)N2
InChIInChI=1S/C17H33N/c1-14(2)16-11-9-7-5-6-8-10-12-17(13-16,18-16)15(3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyITXYURFMMBGWGN-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.90
Rot. Bonds2

About 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane

1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane (PubChem CID 134467071) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane.

Molecular Properties

Compound Name1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane
PubChem CID134467071
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane
SMILESCC(C)C12CCCCCCCCC(C(C)C)(C1)N2
InChIInChI=1S/C17H33N/c1-14(2)16-11-9-7-5-6-8-10-12-17(13-16,18-16)15(3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyITXYURFMMBGWGN-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane?
The IUPAC name of 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane (CID 134467071) is 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane.
What is the SMILES notation for 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane?
The canonical SMILES for 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane is CC(C)C12CCCCCCCCC(C(C)C)(C1)N2.
What is the InChIKey of 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane?
The InChIKey is ITXYURFMMBGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-14(2)16-11-9-7-5-6-8-10-12-17(13-16,18-16)15(3)4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane?
1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane has a molecular weight of 251.46 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane is sourced from PubChem (CID 134467071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).