2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]

C25H32N2 — CID 70210455

IUPAC2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
SMILESc1ccc(CC2NCC3CN(Cc4ccccc4)CC2C32CCCC2)cc1
InChIInChI=1S/C25H32N2/c1-3-9-20(10-4-1)15-24-23-19-27(17-21-11-5-2-6-12-21)18-22(16-26-24)25(23)13-7-8-14-25/h1-6,9-12,22-24,26H,7-8,13-19H2
InChIKeyIKXGRELUERBOER-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.51
Rot. Bonds4

About 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]

2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] (PubChem CID 70210455) has the molecular formula C25H32N2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane].

Molecular Properties

Compound Name2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
PubChem CID70210455
Molecular FormulaC25H32N2
Molecular Weight360.54 g/mol
Exact Mass360.26
IUPAC Name2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
SMILESc1ccc(CC2NCC3CN(Cc4ccccc4)CC2C32CCCC2)cc1
InChIInChI=1S/C25H32N2/c1-3-9-20(10-4-1)15-24-23-19-27(17-21-11-5-2-6-12-21)18-22(16-26-24)25(23)13-7-8-14-25/h1-6,9-12,22-24,26H,7-8,13-19H2
InChIKeyIKXGRELUERBOER-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] 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 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]?
The IUPAC name of 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] (CID 70210455) is 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane].
What is the SMILES notation for 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]?
The canonical SMILES for 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] is c1ccc(CC2NCC3CN(Cc4ccccc4)CC2C32CCCC2)cc1.
What is the InChIKey of 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]?
The InChIKey is IKXGRELUERBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-3-9-20(10-4-1)15-24-23-19-27(17-21-11-5-2-6-12-21)18-22(16-26-24)25(23)13-7-8-14-25/h1-6,9-12,22-24,26H,7-8,13-19H2.
What are the key properties of 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]?
2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] has a molecular weight of 360.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane] is sourced from PubChem (CID 70210455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).