13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

C19H17N2Si+ — CID 157199849

IUPAC13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
SMILESC[Si]1(C)Cc2cccc3c4cccc5c4c4n(c1c[n+]4C5)c23
InChIInChI=1S/C19H17N2Si/c1-22(2)11-13-6-4-8-15-14-7-3-5-12-9-20-10-16(22)21(18(13)15)19(20)17(12)14/h3-8,10H,9,11H2,1-2H3/q+1
InChIKeyGDRHAWIBVLJBFH-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.91
Rot. Bonds

About 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (PubChem CID 157199849) has the molecular formula C19H17N2Si+ and a molecular weight of 301.44 g/mol. Its IUPAC name is 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.

Molecular Properties

Compound Name13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
PubChem CID157199849
Molecular FormulaC19H17N2Si+
Molecular Weight301.44 g/mol
Exact Mass301.12
IUPAC Name13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
SMILESC[Si]1(C)Cc2cccc3c4cccc5c4c4n(c1c[n+]4C5)c23
InChIInChI=1S/C19H17N2Si/c1-22(2)11-13-6-4-8-15-14-7-3-5-12-9-20-10-16(22)21(18(13)15)19(20)17(12)14/h3-8,10H,9,11H2,1-2H3/q+1
InChIKeyGDRHAWIBVLJBFH-UHFFFAOYSA-N
XLogP2.91
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
CID 158404167
1,16-diaza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 159271859
5-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
CID 159554484
3-[2,6-bis(1,3-dioxan-2-yl)phenyl]-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene
CID 59365920
CID 160923282
CID 160923282
8,8,9,11,11-pentamethyl-1-aza-19-azoniaoctacyclo[16.9.1.02,7.03,25.09,28.012,17.019,27.021,26]octacosa-2,4,6,12,14,16,18(28),19(27),21(26),22,24-undecaene
CID 158641918
magnesium;(5-bromoimidazo[1,2-f]phenanthridin-3-yl)-(chloromethyl)-dimethylsilane;12,12-dimethyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-dimethyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;propane;chloride
CID 159393922
10-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
CID 123769932
13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
CID 159703702
3-[2,6-bis(1,3-dioxan-2-yl)phenyl]-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-[2,6-bis(1,3-dioxan-5-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 159079850
CID 160923280
CID 160923280
12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
CID 118915726

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The IUPAC name of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (CID 157199849) is 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.
What is the SMILES notation for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The canonical SMILES for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is C[Si]1(C)Cc2cccc3c4cccc5c4c4n(c1c[n+]4C5)c23.
What is the InChIKey of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The InChIKey is GDRHAWIBVLJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2Si/c1-22(2)11-13-6-4-8-15-14-7-3-5-12-9-20-10-16(22)21(18(13)15)19(20)17(12)14/h3-8,10H,9,11H2,1-2H3/q+1.
What are the key properties of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene has a molecular weight of 301.44 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is sourced from PubChem (CID 157199849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).