azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

C25H36N6OSi — CID 67362929

IUPACazane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cc3c(ncc4cnc(N5CCCC5)n43)n2COCC[Si](C)(C)C)cc1.N
InChIInChI=1S/C25H33N5OSi.H3N/c1-19-7-9-20(10-8-19)22-15-23-24(29(22)18-31-13-14-32(2,3)4)26-16-21-17-27-25(30(21)23)28-11-5-6-12-28;/h7-10,15-17H,5-6,11-14,18H2,1-4H3;1H3
InChIKeyOZDZZKLYVNYWFU-UHFFFAOYSA-N
MW464.69 g/mol
LogP5.73
Rot. Bonds7

About azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (PubChem CID 67362929) has the molecular formula C25H36N6OSi and a molecular weight of 464.69 g/mol. Its IUPAC name is azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nameazane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
PubChem CID67362929
Molecular FormulaC25H36N6OSi
Molecular Weight464.69 g/mol
Exact Mass464.27
IUPAC Nameazane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cc3c(ncc4cnc(N5CCCC5)n43)n2COCC[Si](C)(C)C)cc1.N
InChIInChI=1S/C25H33N5OSi.H3N/c1-19-7-9-20(10-8-19)22-15-23-24(29(22)18-31-13-14-32(2,3)4)26-16-21-17-27-25(30(21)23)28-11-5-6-12-28;/h7-10,15-17H,5-6,11-14,18H2,1-4H3;1H3
InChIKeyOZDZZKLYVNYWFU-UHFFFAOYSA-N
XLogP5.73
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The IUPAC name of azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (CID 67362929) is azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The canonical SMILES for azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is Cc1ccc(-c2cc3c(ncc4cnc(N5CCCC5)n43)n2COCC[Si](C)(C)C)cc1.N.
What is the InChIKey of azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The InChIKey is OZDZZKLYVNYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5OSi.H3N/c1-19-7-9-20(10-8-19)22-15-23-24(29(22)18-31-13-14-32(2,3)4)26-16-21-17-27-25(30(21)23)28-11-5-6-12-28;/h7-10,15-17H,5-6,11-14,18H2,1-4H3;1H3.
What are the key properties of azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane has a molecular weight of 464.69 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 67362929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).