3,7-bis(cyclopropylmethyl)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]

• ChemBase ID: 129737
• Molecular Formular: C19H32N2
• Molecular Mass: 288.47078
• Monoisotopic Mass: 288.25654903
• SMILES: C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1
• Canonical SMILES: C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1
• InChI: InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2
• InChIKey: CTIRHWCPXYGDGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-bis(cyclopropylmethyl)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]
• IUPAC Traditional name: tedisamil
• Synonyms: Tedisamil

Database IDs

• CAS Number: 90961-53-8
• PubChem SID: 162224026
• PubChem CID: 65825
• ATC CODE: C01BD06
• CHEMBL: 113461
• IUPHAR ligand ID: 2567
• KEGG ID: D06652
• Unique Ingredient Identifier: A5VAY2U3R8
• Wikipedia Title: Tedisamil

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.7493029
• LogD (pH = 7.4): 0.1954642
• Log P: 2.7811933
• Molar Refractivity: 88.5061 cm^3
• Polarizability: 35.16375 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true