trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane

C17H18N2Si — CID 59221871

IUPACtrimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane
SMILESCc1cc2c([Si](C)(C)C)cn3c4cccnc4c(c1)c23
InChIInChI=1S/C17H18N2Si/c1-11-8-12-15(20(2,3)4)10-19-14-6-5-7-18-16(14)13(9-11)17(12)19/h5-10H,1-4H3
InChIKeyURCRLMKDVUWQPO-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.93
Rot. Bonds1

About trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane

trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane (PubChem CID 59221871) has the molecular formula C17H18N2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane.

Molecular Properties

Compound Nametrimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane
PubChem CID59221871
Molecular FormulaC17H18N2Si
Molecular Weight278.43 g/mol
Exact Mass278.12
IUPAC Nametrimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane
SMILESCc1cc2c([Si](C)(C)C)cn3c4cccnc4c(c1)c23
InChIInChI=1S/C17H18N2Si/c1-11-8-12-15(20(2,3)4)10-19-14-6-5-7-18-16(14)13(9-11)17(12)19/h5-10H,1-4H3
InChIKeyURCRLMKDVUWQPO-UHFFFAOYSA-N
XLogP3.93
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane?
The IUPAC name of trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane (CID 59221871) is trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane.
What is the SMILES notation for trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane?
The canonical SMILES for trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane is Cc1cc2c([Si](C)(C)C)cn3c4cccnc4c(c1)c23.
What is the InChIKey of trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane?
The InChIKey is URCRLMKDVUWQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2Si/c1-11-8-12-15(20(2,3)4)10-19-14-6-5-7-18-16(14)13(9-11)17(12)19/h5-10H,1-4H3.
What are the key properties of trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane?
trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane has a molecular weight of 278.43 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane is sourced from PubChem (CID 59221871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).