(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane

C26H25N2Si+ — CID 169015460

IUPAC(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane
SMILESCc1cccc2c1c1c3c(ccc4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C26H25N2Si/c1-16-9-8-12-21-23(16)26-24-19(22(15-27(26)2)29(3,4)5)14-13-18-17-10-6-7-11-20(17)28(21)25(18)24/h6-15H,1-5H3/q+1
InChIKeyROFCFERXPBZMLI-UHFFFAOYSA-N
MW393.59 g/mol
LogP5.67
Rot. Bonds1

About (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane

(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane (PubChem CID 169015460) has the molecular formula C26H25N2Si+ and a molecular weight of 393.59 g/mol. Its IUPAC name is (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane.

Molecular Properties

Compound Name(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane
PubChem CID169015460
Molecular FormulaC26H25N2Si+
Molecular Weight393.59 g/mol
Exact Mass393.18
IUPAC Name(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane
SMILESCc1cccc2c1c1c3c(ccc4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C26H25N2Si/c1-16-9-8-12-21-23(16)26-24-19(22(15-27(26)2)29(3,4)5)14-13-18-17-10-6-7-11-20(17)28(21)25(18)24/h6-15H,1-5H3/q+1
InChIKeyROFCFERXPBZMLI-UHFFFAOYSA-N
XLogP5.67
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.59
LogP ≤ 55.67
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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane with MolForge

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Related Compounds

25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
6,9-dimethyl-1-aza-6-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2(7),3,5,8,10,12(23),13,15(22),16,18,20-undecaene
CID 170235742
6,9-dimethyl-14-(trideuteriomethyl)-1,11-diaza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaene
CID 169015462
[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane
CID 169015461
9,11,14-trimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684570
11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene-19-thiol
CID 170684585
5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine
CID 174083627
6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685466
trimethyl-(14,17,22,24-tetramethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaen-9-yl)silane
CID 169015559
12,15-dimethyl-20-oxa-2,17-diaza-15-azoniaheptacyclo[12.10.1.12,9.03,8.018,25.019,23.013,26]hexacosa-1(25),3,5,7,9(26),10,12,14,16,18,21,23-dodecaene
CID 170684796
11,14-dimethyl-19-propan-2-yl-18-oxa-1-aza-14-azoniahexacyclo[10.8.1.113,17.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,15,17(22),19-decaene
CID 170684387
11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene
CID 166030337

Frequently Asked Questions

What is the IUPAC name of (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane?
The IUPAC name of (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane (CID 169015460) is (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane.
What is the SMILES notation for (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane?
The canonical SMILES for (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane is Cc1cccc2c1c1c3c(ccc4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane?
The InChIKey is ROFCFERXPBZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2Si/c1-16-9-8-12-21-23(16)26-24-19(22(15-27(26)2)29(3,4)5)14-13-18-17-10-6-7-11-20(17)28(21)25(18)24/h6-15H,1-5H3/q+1.
What are the key properties of (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane?
(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane has a molecular weight of 393.59 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane is sourced from PubChem (CID 169015460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).